4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride

C14H28ClN3O4S — CID 120937422

IUPAC4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)NC1CCCC1CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C14H27N3O4S.ClH/c1-22(19,20)17-12-4-2-3-11(12)9-16-13(18)14(10-15)5-7-21-8-6-14;/h11-12,17H,2-10,15H2,1H3,(H,16,18);1H
InChIKeyJBQUQLNISMCIER-UHFFFAOYSA-N
MW369.92 g/mol
LogP-0.00
Rot. Bonds6

About 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120937422) has the molecular formula C14H28ClN3O4S and a molecular weight of 369.92 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120937422
Molecular FormulaC14H28ClN3O4S
Molecular Weight369.92 g/mol
Exact Mass369.15
IUPAC Name4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)NC1CCCC1CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C14H27N3O4S.ClH/c1-22(19,20)17-12-4-2-3-11(12)9-16-13(18)14(10-15)5-7-21-8-6-14;/h11-12,17H,2-10,15H2,1H3,(H,16,18);1H
InChIKeyJBQUQLNISMCIER-UHFFFAOYSA-N
XLogP-0.00
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide
CID 120937423
4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120937132
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]pentanamide;hydrochloride
CID 119345236
1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 126801738
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992412
4-(aminomethyl)-N-(thian-4-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120928615
9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992414
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride
CID 119821615
4-(aminomethyl)-N-cyclopropylsulfonyloxane-4-carboxamide
CID 103308370
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119795410

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride (CID 120937422) is 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride is CS(=O)(=O)NC1CCCC1CNC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is JBQUQLNISMCIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S.ClH/c1-22(19,20)17-12-4-2-3-11(12)9-16-13(18)14(10-15)5-7-21-8-6-14;/h11-12,17H,2-10,15H2,1H3,(H,16,18);1H.
What are the key properties of 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of -0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120937422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).