2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide

C9H14ClNOS — CID 121203737

IUPAC2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide
SMILESO=C(CCl)N(C1CC1)C1CCSC1
InChIInChI=1S/C9H14ClNOS/c10-5-9(12)11(7-1-2-7)8-3-4-13-6-8/h7-8H,1-6H2
InChIKeyYMKVMOJBMNLKSZ-UHFFFAOYSA-N
MW219.74 g/mol
LogP1.72
Rot. Bonds3

About 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide

2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide (PubChem CID 121203737) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide
PubChem CID121203737
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide
SMILESO=C(CCl)N(C1CC1)C1CCSC1
InChIInChI=1S/C9H14ClNOS/c10-5-9(12)11(7-1-2-7)8-3-4-13-6-8/h7-8H,1-6H2
InChIKeyYMKVMOJBMNLKSZ-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide (CID 121203737) is 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide is O=C(CCl)N(C1CC1)C1CCSC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide?
The InChIKey is YMKVMOJBMNLKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS/c10-5-9(12)11(7-1-2-7)8-3-4-13-6-8/h7-8H,1-6H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide?
2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide has a molecular weight of 219.74 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 121203737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).