(2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride

C15H28ClN7O3S — CID 154887550

IUPAC(2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)N3CCCC3)nn2)CN1.Cl
InChIInChI=1S/C15H27N7O3S.ClH/c1-11(2)18-15(23)14-7-13(9-16-14)22-10-12(19-20-22)8-17-26(24,25)21-5-3-4-6-21;/h10-11,13-14,16-17H,3-9H2,1-2H3,(H,18,23);1H/t13-,14+;/m1./s1
InChIKeyPFCAKOMCHRIBHF-DFQHDRSWSA-N
MW421.96 g/mol
LogP-0.44
Rot. Bonds7

About (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride

(2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 154887550) has the molecular formula C15H28ClN7O3S and a molecular weight of 421.96 g/mol. Its IUPAC name is (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID154887550
Molecular FormulaC15H28ClN7O3S
Molecular Weight421.96 g/mol
Exact Mass421.17
IUPAC Name(2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)N3CCCC3)nn2)CN1.Cl
InChIInChI=1S/C15H27N7O3S.ClH/c1-11(2)18-15(23)14-7-13(9-16-14)22-10-12(19-20-22)8-17-26(24,25)21-5-3-4-6-21;/h10-11,13-14,16-17H,3-9H2,1-2H3,(H,18,23);1H/t13-,14+;/m1./s1
InChIKeyPFCAKOMCHRIBHF-DFQHDRSWSA-N
XLogP-0.44
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.96
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

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(4S)-4-(4-{[[(cyclohexylamino)carbonyl](methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-N-ethyl-L-prolinamide
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(4S)-4-(4-{[(ethoxycarbonyl)(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-N,N-diethyl-L-prolinamide hydrochloride
CID 56752766
(2S,4S)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide
CID 56701962
(4S)-N,N-diethyl-4-(4-{[methyl(1-pyrrolidinylcarbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-L-prolinamide hydrochloride
CID 56743888
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CID 71058346
1-[2-(4-Methyltriazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 176026080
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide
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(4R)-4-{4-[(dimethylamino)methyl]-1H-1,2,3-triazol-1-yl}-N,N-diethyl-L-prolinamide
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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 154887550) is (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)N3CCCC3)nn2)CN1.Cl.
What is the InChIKey of (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PFCAKOMCHRIBHF-DFQHDRSWSA-N. The full InChI is InChI=1S/C15H27N7O3S.ClH/c1-11(2)18-15(23)14-7-13(9-16-14)22-10-12(19-20-22)8-17-26(24,25)21-5-3-4-6-21;/h10-11,13-14,16-17H,3-9H2,1-2H3,(H,18,23);1H/t13-,14+;/m1./s1.
What are the key properties of (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride?
(2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 421.96 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-propan-2-yl-4-[4-[(pyrrolidin-1-ylsulfonylamino)methyl]triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154887550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).