1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea

C7H11N3O2S — CID 129160773

IUPAC1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea
SMILESC=C(S)NC(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C7H11N3O2S/c1-4(13)9-7(12)10-5-2-3-8-6(5)11/h5,13H,1-3H2,(H,8,11)(H2,9,10,12)/t5-/m0/s1
InChIKeyYJMPZFNFOULDIV-YFKPBYRVSA-N
MW201.25 g/mol
LogP-0.42
Rot. Bonds2

About 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea

1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea (PubChem CID 129160773) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea.

Molecular Properties

Compound Name1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea
PubChem CID129160773
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea
SMILESC=C(S)NC(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C7H11N3O2S/c1-4(13)9-7(12)10-5-2-3-8-6(5)11/h5,13H,1-3H2,(H,8,11)(H2,9,10,12)/t5-/m0/s1
InChIKeyYJMPZFNFOULDIV-YFKPBYRVSA-N
XLogP-0.42
TPSA70.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 164653754
3,3-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 58432563
2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide
CID 164647044
1-(2-bromoprop-2-enyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94221416
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
CID 110472697
2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
CID 130649412
(2R)-2-amino-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 164662315
N-(2-oxopiperidin-3-yl)prop-2-enamide
CID 62092726
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea?
The IUPAC name of 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea (CID 129160773) is 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea.
What is the SMILES notation for 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea?
The canonical SMILES for 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea is C=C(S)NC(=O)N[C@H]1CCNC1=O.
What is the InChIKey of 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea?
The InChIKey is YJMPZFNFOULDIV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4(13)9-7(12)10-5-2-3-8-6(5)11/h5,13H,1-3H2,(H,8,11)(H2,9,10,12)/t5-/m0/s1.
What are the key properties of 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea?
1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea has a molecular weight of 201.25 g/mol, XLogP of -0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea is sourced from PubChem (CID 129160773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).