(3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

C17H26N2O3S — CID 30384770

IUPAC(3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3S/c1-18(2)17(20)16-11-6-12-19(14-16)23(21,22)13-7-10-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-14H2,1-2H3/t16-/m0/s1
InChIKeyCLJXHAQRYKMBAN-INIZCTEOSA-N
MW338.47 g/mol
LogP1.75
Rot. Bonds6

About (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

(3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (PubChem CID 30384770) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
PubChem CID30384770
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3S/c1-18(2)17(20)16-11-6-12-19(14-16)23(21,22)13-7-10-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-14H2,1-2H3/t16-/m0/s1
InChIKeyCLJXHAQRYKMBAN-INIZCTEOSA-N
XLogP1.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30384764
(3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92680091
(3R)-N-[(4-chlorophenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92683172
[(3R)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 38015366
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675555
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675556
N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 46770435
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
1-[(3R)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 92675959
(4-benzylpiperazin-1-yl)-[(3S)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 28633070
ethyl 4-[(3S)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 99948995

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (CID 30384770) is (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The InChIKey is CLJXHAQRYKMBAN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-18(2)17(20)16-11-6-12-19(14-16)23(21,22)13-7-10-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
(3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 30384770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).