2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide

C10H20ClNOS — CID 103881656

IUPAC2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide
SMILESCCC(CC)(CNC(=O)C(C)Cl)SC
InChIInChI=1S/C10H20ClNOS/c1-5-10(6-2,14-4)7-12-9(13)8(3)11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyFIOHUZWUYCWLMQ-UHFFFAOYSA-N
MW237.80 g/mol
LogP2.65
Rot. Bonds6

About 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide

2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide (PubChem CID 103881656) has the molecular formula C10H20ClNOS and a molecular weight of 237.80 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide
PubChem CID103881656
Molecular FormulaC10H20ClNOS
Molecular Weight237.80 g/mol
Exact Mass237.10
IUPAC Name2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide
SMILESCCC(CC)(CNC(=O)C(C)Cl)SC
InChIInChI=1S/C10H20ClNOS/c1-5-10(6-2,14-4)7-12-9(13)8(3)11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyFIOHUZWUYCWLMQ-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
CID 103797840
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103812566
(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103833285
1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
CID 103708307
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
CID 103797832
1-(2-ethyl-2-methylsulfanylbutyl)-3-(2,2,2-trifluoroethyl)urea
CID 113245448
2-(ethylamino)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
CID 103812546
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide
CID 103812535
2-chloro-N-(2-cyclopropyl-2-methylpropyl)propanamide
CID 165463616
1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119809809
2-chloro-N-(3-methylsulfanylpropyl)propanamide
CID 63965545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide?
The IUPAC name of 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide (CID 103881656) is 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide is CCC(CC)(CNC(=O)C(C)Cl)SC.
What is the InChIKey of 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide?
The InChIKey is FIOHUZWUYCWLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNOS/c1-5-10(6-2,14-4)7-12-9(13)8(3)11/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide?
2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide has a molecular weight of 237.80 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide is sourced from PubChem (CID 103881656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).