N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

C18H30ClN3O3S — CID 119565883

IUPACN-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC2(CN)CCCC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13-10-14(2)17(15(3)11-13)25(23,24)20-9-6-16(22)21-18(12-19)7-4-5-8-18;/h10-11,20H,4-9,12,19H2,1-3H3,(H,21,22);1H
InChIKeyRBEGJFJXJVBHON-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.09
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119565883) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119565883
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC2(CN)CCCC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13-10-14(2)17(15(3)11-13)25(23,24)20-9-6-16(22)21-18(12-19)7-4-5-8-18;/h10-11,20H,4-9,12,19H2,1-3H3,(H,21,22);1H
InChIKeyRBEGJFJXJVBHON-UHFFFAOYSA-N
XLogP2.09
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119567663
N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119564864
N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119522413
N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119567689
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119565360
N-[1-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119567203
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119573316
N-[4-(4-fluorophenyl)oxan-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 86898620
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (CID 119565883) is N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC2(CN)CCCC2)c(C)c1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is RBEGJFJXJVBHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-13-10-14(2)17(15(3)11-13)25(23,24)20-9-6-16(22)21-18(12-19)7-4-5-8-18;/h10-11,20H,4-9,12,19H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119565883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).