N-(thiolan-3-ylmethyl)butanamide

C9H17NOS — CID 107298413

IUPACN-(thiolan-3-ylmethyl)butanamide
SMILESCCCC(=O)NCC1CCSC1
InChIInChI=1S/C9H17NOS/c1-2-3-9(11)10-6-8-4-5-12-7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyPBYVPYPOHIPTPB-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.66
Rot. Bonds4

About N-(thiolan-3-ylmethyl)butanamide

N-(thiolan-3-ylmethyl)butanamide (PubChem CID 107298413) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)butanamide
PubChem CID107298413
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-(thiolan-3-ylmethyl)butanamide
SMILESCCCC(=O)NCC1CCSC1
InChIInChI=1S/C9H17NOS/c1-2-3-9(11)10-6-8-4-5-12-7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyPBYVPYPOHIPTPB-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(thiolan-3-ylmethyl)butanamide
CID 107298400
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide
CID 107297678
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
CID 107296090
1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea
CID 107295561
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
N-[(4-chlorocyclohexyl)methyl]butanamide
CID 106133703
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)butanamide?
The IUPAC name of N-(thiolan-3-ylmethyl)butanamide (CID 107298413) is N-(thiolan-3-ylmethyl)butanamide.
What is the SMILES notation for N-(thiolan-3-ylmethyl)butanamide?
The canonical SMILES for N-(thiolan-3-ylmethyl)butanamide is CCCC(=O)NCC1CCSC1.
What is the InChIKey of N-(thiolan-3-ylmethyl)butanamide?
The InChIKey is PBYVPYPOHIPTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-2-3-9(11)10-6-8-4-5-12-7-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-(thiolan-3-ylmethyl)butanamide?
N-(thiolan-3-ylmethyl)butanamide has a molecular weight of 187.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)butanamide is sourced from PubChem (CID 107298413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).