(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide

C15H20N2OS — CID 96566331

IUPAC(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CC1)N1CC[C@H](CSc2ccccc2)C1
InChIInChI=1S/C15H20N2OS/c18-15(16-13-6-7-13)17-9-8-12(10-17)11-19-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,16,18)/t12-/m0/s1
InChIKeyHQGNIPWQWPLISI-LBPRGKRZSA-N
MW276.40 g/mol
LogP2.97
Rot. Bonds4

About (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide

(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide (PubChem CID 96566331) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
PubChem CID96566331
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CC1)N1CC[C@H](CSc2ccccc2)C1
InChIInChI=1S/C15H20N2OS/c18-15(16-13-6-7-13)17-9-8-12(10-17)11-19-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,16,18)/t12-/m0/s1
InChIKeyHQGNIPWQWPLISI-LBPRGKRZSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 111470923
N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide
CID 110672492
[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 96568451
(2R)-2-methylsulfanyl-1-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 96568475
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685819
1-[3-(phenylsulfanylmethyl)piperidin-1-yl]ethanone
CID 110672438
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
(2S)-2-amino-3-phenyl-1-[(3S)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 99849554
N-cyclopentyl-3-[[ethylamino-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111749331
cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672442
N,N'-dimethyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748673

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide (CID 96566331) is (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide is O=C(NC1CC1)N1CC[C@H](CSc2ccccc2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is HQGNIPWQWPLISI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-15(16-13-6-7-13)17-9-8-12(10-17)11-19-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,16,18)/t12-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 96566331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).