2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide

C16H32N2O2S — CID 70278822

IUPAC2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide
SMILESC[C@@]1(CCCNS(=O)(=O)CCC2CCCCC2)CCCN1
InChIInChI=1S/C16H32N2O2S/c1-16(10-5-12-17-16)11-6-13-18-21(19,20)14-9-15-7-3-2-4-8-15/h15,17-18H,2-14H2,1H3/t16-/m0/s1
InChIKeyMIWMVDIPEQTGCW-INIZCTEOSA-N
MW316.51 g/mol
LogP2.80
Rot. Bonds8

About 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide

2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide (PubChem CID 70278822) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide
PubChem CID70278822
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide
SMILESC[C@@]1(CCCNS(=O)(=O)CCC2CCCCC2)CCCN1
InChIInChI=1S/C16H32N2O2S/c1-16(10-5-12-17-16)11-6-13-18-21(19,20)14-9-15-7-3-2-4-8-15/h15,17-18H,2-14H2,1H3/t16-/m0/s1
InChIKeyMIWMVDIPEQTGCW-INIZCTEOSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyclohexyl-1-methylethyl)amino]-N,N-dimethylethanesulfonamide
CID 56701976
N-{[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl}propane-1-sulfonamide
CID 56756103
5-[2-(Piperidin-4-yl)ethyl]-1lambda~6~,2-thiazolidine-1,1-dione
CID 20434937
2-cyclohexyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]propyl]ethanesulfonamide
CID 20774704
N-(cyclohexylmethyl)-4-[(2S)-1-methylpyrrolidin-2-yl]butane-1-sulfonamide
CID 20774746
8-(Cyclohexylamino)-2-ethyloctane-1-sulfonate;rubidium(1+)
CID 23689803
5-Cyclohexyl-4-(4-methylpentylamino)pentane-1-sulfonamide
CID 57100682
5-Cyclohexyl-3-(4-methylpentylamino)pentane-1-sulfonamide
CID 57222810
N-(cyclohexylmethyl)-4-[(2S)-2-methylpyrrolidin-2-yl]butane-1-sulfonamide
CID 70281013
N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939050
3-(3-Ethyltetradecan-3-ylazaniumyl)propane-1-sulfonate
CID 87754557
N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide
CID 89233950

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide?
The IUPAC name of 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide (CID 70278822) is 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide.
What is the SMILES notation for 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide?
The canonical SMILES for 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide is C[C@@]1(CCCNS(=O)(=O)CCC2CCCCC2)CCCN1.
What is the InChIKey of 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide?
The InChIKey is MIWMVDIPEQTGCW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-16(10-5-12-17-16)11-6-13-18-21(19,20)14-9-15-7-3-2-4-8-15/h15,17-18H,2-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide?
2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide has a molecular weight of 316.51 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]ethanesulfonamide is sourced from PubChem (CID 70278822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).