3-amino-N-(thiolan-3-yl)butanamide

C8H16N2OS — CID 103811759

IUPAC3-amino-N-(thiolan-3-yl)butanamide
SMILESCC(N)CC(=O)NC1CCSC1
InChIInChI=1S/C8H16N2OS/c1-6(9)4-8(11)10-7-2-3-12-5-7/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeySZBAJIXYZLURKY-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.35
Rot. Bonds3

About 3-amino-N-(thiolan-3-yl)butanamide

3-amino-N-(thiolan-3-yl)butanamide (PubChem CID 103811759) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-amino-N-(thiolan-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(thiolan-3-yl)butanamide
PubChem CID103811759
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name3-amino-N-(thiolan-3-yl)butanamide
SMILESCC(N)CC(=O)NC1CCSC1
InChIInChI=1S/C8H16N2OS/c1-6(9)4-8(11)10-7-2-3-12-5-7/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeySZBAJIXYZLURKY-UHFFFAOYSA-N
XLogP0.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
CID 113345692
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
3-amino-4-oxo-4-(thiolan-3-ylamino)butanoic acid
CID 103063031
3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide
CID 103063158
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
3-amino-N-(3-methylcyclopentyl)butanamide
CID 114546157
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide
CID 103063122
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
propan-2-yl N-(thiolan-3-yl)carbamate
CID 103062730

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thiolan-3-yl)butanamide?
The IUPAC name of 3-amino-N-(thiolan-3-yl)butanamide (CID 103811759) is 3-amino-N-(thiolan-3-yl)butanamide.
What is the SMILES notation for 3-amino-N-(thiolan-3-yl)butanamide?
The canonical SMILES for 3-amino-N-(thiolan-3-yl)butanamide is CC(N)CC(=O)NC1CCSC1.
What is the InChIKey of 3-amino-N-(thiolan-3-yl)butanamide?
The InChIKey is SZBAJIXYZLURKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6(9)4-8(11)10-7-2-3-12-5-7/h6-7H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-N-(thiolan-3-yl)butanamide?
3-amino-N-(thiolan-3-yl)butanamide has a molecular weight of 188.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thiolan-3-yl)butanamide is sourced from PubChem (CID 103811759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).