N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

C15H31N3O2S — CID 106073030

IUPACN-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NC2CCCC(C)(C)C2)CC1
InChIInChI=1S/C15H31N3O2S/c1-15(2)8-4-5-14(11-15)17-21(19,20)18-9-6-13(7-10-18)12-16-3/h13-14,16-17H,4-12H2,1-3H3
InChIKeySZPRPXBFWCSFJK-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.72
Rot. Bonds5

About N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106073030) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106073030
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NC2CCCC(C)(C)C2)CC1
InChIInChI=1S/C15H31N3O2S/c1-15(2)8-4-5-14(11-15)17-21(19,20)18-9-6-13(7-10-18)12-16-3/h13-14,16-17H,4-12H2,1-3H3
InChIKeySZPRPXBFWCSFJK-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 114552127
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091032
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106002916
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087127
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978145
4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide
CID 106072866
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978040
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106073030) is N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NC2CCCC(C)(C)C2)CC1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is SZPRPXBFWCSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-15(2)8-4-5-14(11-15)17-21(19,20)18-9-6-13(7-10-18)12-16-3/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106073030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).