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

C14H27N3O4S — CID 120937423

IUPAC4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide
SMILESCS(=O)(=O)NC1CCCC1CNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H27N3O4S/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)
InChIKeyWQKUUNGOISDGKD-UHFFFAOYSA-N
MW333.45 g/mol
LogP-0.42
Rot. Bonds6

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

4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide (PubChem CID 120937423) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide
PubChem CID120937423
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide
SMILESCS(=O)(=O)NC1CCCC1CNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H27N3O4S/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)
InChIKeyWQKUUNGOISDGKD-UHFFFAOYSA-N
XLogP-0.42
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120937422
4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120937132
1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 126801738
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]pentanamide;hydrochloride
CID 119345236
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992412
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide
CID 120992413
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
4-(aminomethyl)-N-cyclopropylsulfonyloxane-4-carboxamide
CID 103308370
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115437973
4-(aminomethyl)-N-(thian-4-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120928615
(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide
CID 124733780

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide (CID 120937423) is 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide is CS(=O)(=O)NC1CCCC1CNC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide?
The InChIKey is WQKUUNGOISDGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/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).
What are the key properties of 4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]oxane-4-carboxamide has a molecular weight of 333.45 g/mol, XLogP of -0.42, 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 is sourced from PubChem (CID 120937423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).