3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide

C15H24N2O3S — CID 97244870

IUPAC3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)cc1N(C)C
InChIInChI=1S/C15H24N2O3S/c1-11-7-8-13(9-14(11)17(2)3)21(19,20)16-10-12-5-4-6-15(12)18/h7-9,12,15-16,18H,4-6,10H2,1-3H3/t12-,15+/m1/s1
InChIKeyAZOMEZIXEZDDBM-DOMZBBRYSA-N
MW312.44 g/mol
LogP1.50
Rot. Bonds5

About 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide

3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 97244870) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
PubChem CID97244870
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)cc1N(C)C
InChIInChI=1S/C15H24N2O3S/c1-11-7-8-13(9-14(11)17(2)3)21(19,20)16-10-12-5-4-6-15(12)18/h7-9,12,15-16,18H,4-6,10H2,1-3H3/t12-,15+/m1/s1
InChIKeyAZOMEZIXEZDDBM-DOMZBBRYSA-N
XLogP1.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106546349
3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
CID 97244901
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979534
3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244846
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 136534603
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide
CID 79988854
N-[[(1R,2R)-2-(chloromethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 23248440

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide (CID 97244870) is 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)cc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is AZOMEZIXEZDDBM-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-7-8-13(9-14(11)17(2)3)21(19,20)16-10-12-5-4-6-15(12)18/h7-9,12,15-16,18H,4-6,10H2,1-3H3/t12-,15+/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide?
3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 97244870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).