N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide

C15H30N2O3S — CID 128971392

IUPACN-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCCC1C1CCCCC1(C)O
InChIInChI=1S/C15H30N2O3S/c1-3-21(19,20)16-10-12-17-11-6-8-14(17)13-7-4-5-9-15(13,2)18/h13-14,16,18H,3-12H2,1-2H3
InChIKeyBSEGAIPTMSHRSH-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.33
Rot. Bonds6

About N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide

N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide (PubChem CID 128971392) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
PubChem CID128971392
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCCC1C1CCCCC1(C)O
InChIInChI=1S/C15H30N2O3S/c1-3-21(19,20)16-10-12-17-11-6-8-14(17)13-7-4-5-9-15(13,2)18/h13-14,16,18H,3-12H2,1-2H3
InChIKeyBSEGAIPTMSHRSH-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 128987293
2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol
CID 154757247
N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide
CID 129330745
3-[[(2S)-2-[(1R,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129483827
4-[[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022432
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 90608952
N-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95763147
1-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 128989037
1-[(2R)-2-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 129351917
N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide
CID 111111504
trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129485464
(4-hydroxycyclohexyl)-[(2S)-2-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]methanone
CID 129491778

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide (CID 128971392) is N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN1CCCC1C1CCCCC1(C)O.
What is the InChIKey of N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The InChIKey is BSEGAIPTMSHRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-21(19,20)16-10-12-17-11-6-8-14(17)13-7-4-5-9-15(13,2)18/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide?
N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 128971392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).