3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide

C10H20ClNOS — CID 82108659

IUPAC3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide
SMILESCC(C)SCCNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNOS/c1-8(2)14-6-5-12-9(13)10(3,4)7-11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyCANLWCDQBIMCSG-UHFFFAOYSA-N
MW237.80 g/mol
LogP2.51
Rot. Bonds6

About 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide

3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide (PubChem CID 82108659) has the molecular formula C10H20ClNOS and a molecular weight of 237.80 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide
PubChem CID82108659
Molecular FormulaC10H20ClNOS
Molecular Weight237.80 g/mol
Exact Mass237.10
IUPAC Name3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide
SMILESCC(C)SCCNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNOS/c1-8(2)14-6-5-12-9(13)10(3,4)7-11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyCANLWCDQBIMCSG-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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

3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106033672
2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl carbamate
CID 83209558
3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 63680934
3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
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3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115517695
3-chloro-2,2-dimethyl-N-prop-2-ynylpropanamide
CID 63679765
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 79249535
3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
CID 106009639
3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide
CID 114615978
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide
CID 108571121
3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 63678646

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide (CID 82108659) is 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide is CC(C)SCCNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide?
The InChIKey is CANLWCDQBIMCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNOS/c1-8(2)14-6-5-12-9(13)10(3,4)7-11/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide?
3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide has a molecular weight of 237.80 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide is sourced from PubChem (CID 82108659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).