N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide

C14H20N2OS — CID 22905459

IUPACN-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC(CS)Cc1ccccc1)N1CCCC1
InChIInChI=1S/C14H20N2OS/c17-14(16-8-4-5-9-16)15-13(11-18)10-12-6-2-1-3-7-12/h1-3,6-7,13,18H,4-5,8-11H2,(H,15,17)
InChIKeyJNZUZYINNZRGOG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.33
Rot. Bonds4

About N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide

N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 22905459) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID22905459
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC(CS)Cc1ccccc1)N1CCCC1
InChIInChI=1S/C14H20N2OS/c17-14(16-8-4-5-9-16)15-13(11-18)10-12-6-2-1-3-7-12/h1-3,6-7,13,18H,4-5,8-11H2,(H,15,17)
InChIKeyJNZUZYINNZRGOG-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
CID 23344907
N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 91339550
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
CID 154807500
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
S-[3-phenyl-2-(piperazine-1-carbonylamino)propyl] ethanethioate
CID 22905495
1-(1-benzylpiperidin-4-yl)-3-(1-phenyl-3-sulfanylpropan-2-yl)urea
CID 22905498

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide (CID 22905459) is N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide is O=C(NC(CS)Cc1ccccc1)N1CCCC1.
What is the InChIKey of N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is JNZUZYINNZRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-14(16-8-4-5-9-16)15-13(11-18)10-12-6-2-1-3-7-12/h1-3,6-7,13,18H,4-5,8-11H2,(H,15,17).
What are the key properties of N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide?
N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 22905459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).