(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide

C17H23N3O4S — CID 1444999

IUPAC(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H23N3O4S/c21-16(14-8-9-14)18-19-17(22)15-7-4-10-20(11-15)25(23,24)12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyWOLCIMXHNJRVRN-HNNXBMFYSA-N
MW365.46 g/mol
LogP0.79
Rot. Bonds5

About (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide

(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide (PubChem CID 1444999) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
PubChem CID1444999
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H23N3O4S/c21-16(14-8-9-14)18-19-17(22)15-7-4-10-20(11-15)25(23,24)12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyWOLCIMXHNJRVRN-HNNXBMFYSA-N
XLogP0.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide
CID 50808819
4-[(1-benzylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 119171136
1-benzylsulfonyl-N-[2-(ethylamino)ethyl]piperidine-3-carboxamide
CID 119506455
(3S)-3-[[(3S)-1-benzylsulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97211301
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 1445009
N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
CID 119496646
(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299
1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120948133
(3S)-1-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 1445004
(3S)-1-benzylsulfonyl-N-(3-bromophenyl)piperidine-3-carboxamide
CID 92641267
(3R)-1-benzylsulfonyl-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 92641334

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide?
The IUPAC name of (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide (CID 1444999) is (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide is O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CC1.
What is the InChIKey of (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide?
The InChIKey is WOLCIMXHNJRVRN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-16(14-8-9-14)18-19-17(22)15-7-4-10-20(11-15)25(23,24)12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide?
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide has a molecular weight of 365.46 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 1444999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).