N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

C14H29N3O2S — CID 106071092

IUPACN-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H29N3O2S/c1-14(2)9-6-8-13(14)16-20(18,19)17-10-5-4-7-12(17)11-15-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyQRHANZXIXGLORT-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.47
Rot. Bonds5

About N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106071092) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106071092
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H29N3O2S/c1-14(2)9-6-8-13(14)16-20(18,19)17-10-5-4-7-12(17)11-15-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyQRHANZXIXGLORT-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091786
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106010976
N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106017718
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091551
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 82751229
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512
1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 112746994
methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114465274
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63249919

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106071092) is N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is QRHANZXIXGLORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-14(2)9-6-8-13(14)16-20(18,19)17-10-5-4-7-12(17)11-15-3/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106071092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).