N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide

C16H25N3O2S — CID 167794123

IUPACN-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)N[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C16H25N3O2S/c20-22(21,12-13-6-8-17-9-7-13)19-16-11-18-10-15(16)14-4-2-1-3-5-14/h1-5,13,15-19H,6-12H2/t15-,16+/m0/s1
InChIKeyFUCDFPIWCKJRRC-JKSUJKDBSA-N
MW323.46 g/mol
LogP0.66
Rot. Bonds5

About N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide

N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide (PubChem CID 167794123) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide
PubChem CID167794123
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)N[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C16H25N3O2S/c20-22(21,12-13-6-8-17-9-7-13)19-16-11-18-10-15(16)14-4-2-1-3-5-14/h1-5,13,15-19H,6-12H2/t15-,16+/m0/s1
InChIKeyFUCDFPIWCKJRRC-JKSUJKDBSA-N
XLogP0.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014533
1-(azetidin-3-yl)-N-phenylmethanesulfonamide
CID 115035680
(3R,4S)-N-methyl-3-phenylpiperidin-4-amine
CID 91006555
N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide
CID 54974058
N-benzyl-2-piperidin-4-ylethanesulfonamide
CID 60890567
4-ethyl-3-phenylpiperidine
CID 175022073
(3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride
CID 170911583
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
2-phenyl-N-(3-phenylpiperidin-4-yl)propanamide
CID 11500528
N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide
CID 62056399
N-(4-methylpiperidin-3-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 120723080
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide (CID 167794123) is N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide is O=S(=O)(CC1CCNCC1)N[C@@H]1CNC[C@H]1c1ccccc1.
What is the InChIKey of N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is FUCDFPIWCKJRRC-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H25N3O2S/c20-22(21,12-13-6-8-17-9-7-13)19-16-11-18-10-15(16)14-4-2-1-3-5-14/h1-5,13,15-19H,6-12H2/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide?
N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 167794123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).