2-chloro-N-(3-methylsulfanylpropyl)propanamide

C7H14ClNOS — CID 63965545

IUPAC2-chloro-N-(3-methylsulfanylpropyl)propanamide
SMILESCSCCCNC(=O)C(C)Cl
InChIInChI=1S/C7H14ClNOS/c1-6(8)7(10)9-4-3-5-11-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyAKRCBLCSUDCAJW-UHFFFAOYSA-N
MW195.72 g/mol
LogP1.48
Rot. Bonds5

About 2-chloro-N-(3-methylsulfanylpropyl)propanamide

2-chloro-N-(3-methylsulfanylpropyl)propanamide (PubChem CID 63965545) has the molecular formula C7H14ClNOS and a molecular weight of 195.72 g/mol. Its IUPAC name is 2-chloro-N-(3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylsulfanylpropyl)propanamide
PubChem CID63965545
Molecular FormulaC7H14ClNOS
Molecular Weight195.72 g/mol
Exact Mass195.05
IUPAC Name2-chloro-N-(3-methylsulfanylpropyl)propanamide
SMILESCSCCCNC(=O)C(C)Cl
InChIInChI=1S/C7H14ClNOS/c1-6(8)7(10)9-4-3-5-11-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyAKRCBLCSUDCAJW-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.72
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide
CID 107030299
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
N-(2-aminoethyl)-2-chloropropanamide
CID 61250987
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559
N-(4-methylsulfanylbutyl)acetamide
CID 115635829
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
1-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methylsulfanylpropyl)urea
CID 111435214
5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide
CID 114125400
2-methyl-1-(2-methylpropyl)-3-(3-methylsulfanylpropyl)guanidine
CID 111768551
ethyl 4-(2-chloropropanoylamino)butanoate
CID 64576746
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylsulfanylpropyl)propanamide?
The IUPAC name of 2-chloro-N-(3-methylsulfanylpropyl)propanamide (CID 63965545) is 2-chloro-N-(3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 2-chloro-N-(3-methylsulfanylpropyl)propanamide is CSCCCNC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(3-methylsulfanylpropyl)propanamide?
The InChIKey is AKRCBLCSUDCAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNOS/c1-6(8)7(10)9-4-3-5-11-2/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-chloro-N-(3-methylsulfanylpropyl)propanamide?
2-chloro-N-(3-methylsulfanylpropyl)propanamide has a molecular weight of 195.72 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 63965545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).