1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine

C11H24ClNO2S — CID 106731016

IUPAC1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
SMILESCC(C)CC(CCl)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C11H24ClNO2S/c1-9(2)7-11(8-12)13-5-6-16(14,15)10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyKQCGSGYHNKVKSC-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.05
Rot. Bonds8

About 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine

1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine (PubChem CID 106731016) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine.

Molecular Properties

Compound Name1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
PubChem CID106731016
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC Name1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
SMILESCC(C)CC(CCl)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C11H24ClNO2S/c1-9(2)7-11(8-12)13-5-6-16(14,15)10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyKQCGSGYHNKVKSC-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid
CID 106727471
1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 65025886
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide
CID 65030984
3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 104578148
N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide
CID 65031040
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine
CID 106724402
1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 106724509
1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine
CID 106723563

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine?
The IUPAC name of 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine (CID 106731016) is 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine.
What is the SMILES notation for 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine?
The canonical SMILES for 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine is CC(C)CC(CCl)NCCS(=O)(=O)C(C)C.
What is the InChIKey of 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine?
The InChIKey is KQCGSGYHNKVKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-9(2)7-11(8-12)13-5-6-16(14,15)10(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine?
1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine has a molecular weight of 269.84 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine is sourced from PubChem (CID 106731016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).