3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide

C7H12N2OS2 — CID 103063158

IUPAC3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide
SMILESNC(=S)CC(=O)NC1CCSC1
InChIInChI=1S/C7H12N2OS2/c8-6(11)3-7(10)9-5-1-2-12-4-5/h5H,1-4H2,(H2,8,11)(H,9,10)
InChIKeyQHMMKTDUJFAZIE-UHFFFAOYSA-N
MW204.32 g/mol
LogP0.28
Rot. Bonds3

About 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide

3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide (PubChem CID 103063158) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide
PubChem CID103063158
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide
SMILESNC(=S)CC(=O)NC1CCSC1
InChIInChI=1S/C7H12N2OS2/c8-6(11)3-7(10)9-5-1-2-12-4-5/h5H,1-4H2,(H2,8,11)(H,9,10)
InChIKeyQHMMKTDUJFAZIE-UHFFFAOYSA-N
XLogP0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
CID 103063106
2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide
CID 107339832
2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide
CID 103822247
(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
CID 113345692
1-(aminomethyl)-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 103063036
3-amino-N-(oxepan-4-yl)-3-sulfanylidenepropanamide
CID 130608137
3-amino-4-oxo-4-(thiolan-3-ylamino)butanoic acid
CID 103063031
5-(thiolan-3-ylamino)pentanamide
CID 106233737
1,1-diethyl-3-(thiolan-3-yl)urea
CID 103698014
4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide
CID 103063122

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide?
The IUPAC name of 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide (CID 103063158) is 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide is NC(=S)CC(=O)NC1CCSC1.
What is the InChIKey of 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide?
The InChIKey is QHMMKTDUJFAZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c8-6(11)3-7(10)9-5-1-2-12-4-5/h5H,1-4H2,(H2,8,11)(H,9,10).
What are the key properties of 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide?
3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide has a molecular weight of 204.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 103063158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).