(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide

C16H21N3O2S — CID 172908594

IUPAC(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2SC2CC2)C1
InChIInChI=1S/C16H21N3O2S/c17-15(20)11-4-3-9-19(10-11)16(21)18-13-5-1-2-6-14(13)22-12-7-8-12/h1-2,5-6,11-12H,3-4,7-10H2,(H2,17,20)(H,18,21)/t11-/m0/s1
InChIKeyNRHXRDKTQQQCFH-NSHDSACASA-N
MW319.43 g/mol
LogP2.67
Rot. Bonds4

About (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide

(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 172908594) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
PubChem CID172908594
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2SC2CC2)C1
InChIInChI=1S/C16H21N3O2S/c17-15(20)11-4-3-9-19(10-11)16(21)18-13-5-1-2-6-14(13)22-12-7-8-12/h1-2,5-6,11-12H,3-4,7-10H2,(H2,17,20)(H,18,21)/t11-/m0/s1
InChIKeyNRHXRDKTQQQCFH-NSHDSACASA-N
XLogP2.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075791
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide
CID 72902640
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
4-benzoyl-N-(2-cyclopentylsulfanylphenyl)-1,4-diazepane-1-carboxamide
CID 112825876
(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212512
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95709749
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide (CID 172908594) is (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide is NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2SC2CC2)C1.
What is the InChIKey of (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is NRHXRDKTQQQCFH-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O2S/c17-15(20)11-4-3-9-19(10-11)16(21)18-13-5-1-2-6-14(13)22-12-7-8-12/h1-2,5-6,11-12H,3-4,7-10H2,(H2,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide?
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 172908594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).