N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide

C18H28N2O3S — CID 155054694

IUPACN-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCNC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-24(21,22)20-17-11-12-19-18(17)13-23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,15-20H,7-13H2,1H3/t15?,16?,17-,18?/m0/s1
InChIKeyBFRQIZWFRRGOHD-DFQJWARBSA-N
MW352.50 g/mol
LogP2.01
Rot. Bonds6

About N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 155054694) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID155054694
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCNC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-24(21,22)20-17-11-12-19-18(17)13-23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,15-20H,7-13H2,1H3/t15?,16?,17-,18?/m0/s1
InChIKeyBFRQIZWFRRGOHD-DFQJWARBSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide (CID 155054694) is N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCNC1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is BFRQIZWFRRGOHD-DFQJWARBSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-24(21,22)20-17-11-12-19-18(17)13-23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,15-20H,7-13H2,1H3/t15?,16?,17-,18?/m0/s1.
What are the key properties of N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 155054694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).