N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride

C15H25ClN4O3S2 — CID 119575429

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CC1.Cl
InChIInChI=1S/C15H24N4O3S2.ClH/c1-15(10-16,11-2-3-11)18-14(20)13-8-12(9-17-13)24(21,22)19-4-6-23-7-5-19;/h8-9,11,17H,2-7,10,16H2,1H3,(H,18,20);1H
InChIKeyOZYZQJUTKHUBNA-UHFFFAOYSA-N
MW408.98 g/mol
LogP1.03
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119575429) has the molecular formula C15H25ClN4O3S2 and a molecular weight of 408.98 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119575429
Molecular FormulaC15H25ClN4O3S2
Molecular Weight408.98 g/mol
Exact Mass408.11
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CC1.Cl
InChIInChI=1S/C15H24N4O3S2.ClH/c1-15(10-16,11-2-3-11)18-14(20)13-8-12(9-17-13)24(21,22)19-4-6-23-7-5-19;/h8-9,11,17H,2-7,10,16H2,1H3,(H,18,20);1H
InChIKeyOZYZQJUTKHUBNA-UHFFFAOYSA-N
XLogP1.03
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.98
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 119575430
N-[3-(aminomethyl)pentan-3-yl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119571549
N-(2-amino-2-methylpropyl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119629959
N-[2-(aminomethyl)cyclohexyl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119612014
N-[(2S)-1-aminopropan-2-yl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 120508302
N-[2-(methylamino)ethyl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 119503707
N-(1-amino-4-methylpentan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119588288
[4-(methylaminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119546352
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119573926
2-[(4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 119223662
[2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119469232
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 120945062

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 119575429) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride is CC(CN)(NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is OZYZQJUTKHUBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S2.ClH/c1-15(10-16,11-2-3-11)18-14(20)13-8-12(9-17-13)24(21,22)19-4-6-23-7-5-19;/h8-9,11,17H,2-7,10,16H2,1H3,(H,18,20);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 408.98 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119575429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).