N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C17H27N3O2S — CID 78805459

IUPACN-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCC1CCC(N(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C17H27N3O2S/c1-14-5-7-15(8-6-14)19(2)17-10-9-16(13-18-17)23(21,22)20-11-3-4-12-20/h9-10,13-15H,3-8,11-12H2,1-2H3
InChIKeyZGAYWGSQJWZPBP-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.88
Rot. Bonds4

About N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 78805459) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID78805459
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCC1CCC(N(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C17H27N3O2S/c1-14-5-7-15(8-6-14)19(2)17-10-9-16(13-18-17)23(21,22)20-11-3-4-12-20/h9-10,13-15H,3-8,11-12H2,1-2H3
InChIKeyZGAYWGSQJWZPBP-UHFFFAOYSA-N
XLogP2.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133288130
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
5-chloro-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 66232762
N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 8892754
N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133309603
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133385878
(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 55372562
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 78805459) is N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is CC1CCC(N(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is ZGAYWGSQJWZPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-14-5-7-15(8-6-14)19(2)17-10-9-16(13-18-17)23(21,22)20-11-3-4-12-20/h9-10,13-15H,3-8,11-12H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 337.49 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 78805459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).