2-cyclopropyl-N-(thiolan-3-yl)propanamide

C10H17NOS — CID 127000268

IUPAC2-cyclopropyl-N-(thiolan-3-yl)propanamide
SMILESCC(C(=O)NC1CCSC1)C1CC1
InChIInChI=1S/C10H17NOS/c1-7(8-2-3-8)10(12)11-9-4-5-13-6-9/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyFKQIPTSVBLTDGN-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.65
Rot. Bonds3

About 2-cyclopropyl-N-(thiolan-3-yl)propanamide

2-cyclopropyl-N-(thiolan-3-yl)propanamide (PubChem CID 127000268) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(thiolan-3-yl)propanamide
PubChem CID127000268
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-cyclopropyl-N-(thiolan-3-yl)propanamide
SMILESCC(C(=O)NC1CCSC1)C1CC1
InChIInChI=1S/C10H17NOS/c1-7(8-2-3-8)10(12)11-9-4-5-13-6-9/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyFKQIPTSVBLTDGN-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide
CID 103063076
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647
propan-2-yl N-(thiolan-3-yl)carbamate
CID 103062730
1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
CID 117234419
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide
CID 131242989
1,1-diethyl-3-(thiolan-3-yl)urea
CID 103698014
2-cyclopropyl-N-(4-oxocyclohexyl)propanamide
CID 83153733
(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
CID 113345692

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(thiolan-3-yl)propanamide?
The IUPAC name of 2-cyclopropyl-N-(thiolan-3-yl)propanamide (CID 127000268) is 2-cyclopropyl-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 2-cyclopropyl-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 2-cyclopropyl-N-(thiolan-3-yl)propanamide is CC(C(=O)NC1CCSC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(thiolan-3-yl)propanamide?
The InChIKey is FKQIPTSVBLTDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(8-2-3-8)10(12)11-9-4-5-13-6-9/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-cyclopropyl-N-(thiolan-3-yl)propanamide?
2-cyclopropyl-N-(thiolan-3-yl)propanamide has a molecular weight of 199.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 127000268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).