1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride

C11H24ClN3O3S — CID 119290733

IUPAC1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)NCCCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-18(16,17)14-9-5-8-13-10(15)11(12)6-3-2-4-7-11;/h14H,2-9,12H2,1H3,(H,13,15);1H
InChIKeyDOPSZQKSBHGICV-UHFFFAOYSA-N
MW313.85 g/mol
LogP0.13
Rot. Bonds6

About 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119290733) has the molecular formula C11H24ClN3O3S and a molecular weight of 313.85 g/mol. Its IUPAC name is 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119290733
Molecular FormulaC11H24ClN3O3S
Molecular Weight313.85 g/mol
Exact Mass313.12
IUPAC Name1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)NCCCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-18(16,17)14-9-5-8-13-10(15)11(12)6-3-2-4-7-11;/h14H,2-9,12H2,1H3,(H,13,15);1H
InChIKeyDOPSZQKSBHGICV-UHFFFAOYSA-N
XLogP0.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119290745
1-amino-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 61036737
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide
CID 113368586
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119322435
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride
CID 119291127
1-amino-N-[4-(methanesulfonamidomethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119328489
1-amino-N-(3-hydroxypropyl)cyclobutane-1-carboxamide
CID 81179934

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride (CID 119290733) is 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride is CS(=O)(=O)NCCCNC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DOPSZQKSBHGICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S.ClH/c1-18(16,17)14-9-5-8-13-10(15)11(12)6-3-2-4-7-11;/h14H,2-9,12H2,1H3,(H,13,15);1H.
What are the key properties of 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119290733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).