1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine

C10H22ClNO2S — CID 106731302

IUPAC1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
SMILESCC(C)S(=O)(=O)CCN(C)C(C)(C)CCl
InChIInChI=1S/C10H22ClNO2S/c1-9(2)15(13,14)7-6-12(5)10(3,4)8-11/h9H,6-8H2,1-5H3
InChIKeyYPYLUTFSJRAMOL-UHFFFAOYSA-N
MW255.81 g/mol
LogP1.76
Rot. Bonds6

About 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine

1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine (PubChem CID 106731302) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
PubChem CID106731302
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC Name1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
SMILESCC(C)S(=O)(=O)CCN(C)C(C)(C)CCl
InChIInChI=1S/C10H22ClNO2S/c1-9(2)15(13,14)7-6-12(5)10(3,4)8-11/h9H,6-8H2,1-5H3
InChIKeyYPYLUTFSJRAMOL-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 106730934
2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782
2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729796
N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine
CID 84686176
1-chloro-5-propan-2-ylsulfonylpentane
CID 60872499
2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 106722764
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine
CID 166188270
4,4-dimethyl-1-propan-2-ylsulfonylpentan-3-one
CID 167554026
3-[propan-2-yl(2-propan-2-ylsulfonylethyl)amino]propanenitrile
CID 103734410
N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide
CID 98652950
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The IUPAC name of 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine (CID 106731302) is 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The canonical SMILES for 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine is CC(C)S(=O)(=O)CCN(C)C(C)(C)CCl.
What is the InChIKey of 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The InChIKey is YPYLUTFSJRAMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-9(2)15(13,14)7-6-12(5)10(3,4)8-11/h9H,6-8H2,1-5H3.
What are the key properties of 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine has a molecular weight of 255.81 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 106731302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).