N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

C15H31N3O2S — CID 43598301

IUPACN-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2(N)CCCCCC2)C1
InChIInChI=1S/C15H31N3O2S/c1-13-9-14(2)11-18(10-13)21(19,20)17-12-15(16)7-5-3-4-6-8-15/h13-14,17H,3-12,16H2,1-2H3
InChIKeyQBPJCWRODPXLEF-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.85
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 43598301) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID43598301
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2(N)CCCCCC2)C1
InChIInChI=1S/C15H31N3O2S/c1-13-9-14(2)11-18(10-13)21(19,20)17-12-15(16)7-5-3-4-6-8-15/h13-14,17H,3-12,16H2,1-2H3
InChIKeyQBPJCWRODPXLEF-UHFFFAOYSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
CID 91642856
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 45881399
4-Ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 118241953
N-[1-(aminomethyl)cyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940478
N-[1-(aminomethyl)cyclopentyl]-4-methylpiperidine-1-sulfonamide
CID 28940516
N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610
N-[1-(aminomethyl)cyclooctyl]piperidine-1-sulfonamide
CID 28940612
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646
N-[1-(aminomethyl)cycloheptyl]pyrrolidine-1-sulfonamide
CID 28940656
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]piperidine-1-sulfonamide
CID 28940662

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 43598301) is N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCC2(N)CCCCCC2)C1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is QBPJCWRODPXLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-13-9-14(2)11-18(10-13)21(19,20)17-12-15(16)7-5-3-4-6-8-15/h13-14,17H,3-12,16H2,1-2H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 43598301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).