2-(2-chloroethylsulfonyl)hexan-1-amine

C8H18ClNO2S — CID 19834427

IUPAC2-(2-chloroethylsulfonyl)hexan-1-amine
SMILESCCCCC(CN)S(=O)(=O)CCCl
InChIInChI=1S/C8H18ClNO2S/c1-2-3-4-8(7-10)13(11,12)6-5-9/h8H,2-7,10H2,1H3
InChIKeyNNIWOHHDCDRIDX-UHFFFAOYSA-N
MW227.76 g/mol
LogP1.16
Rot. Bonds7

About 2-(2-chloroethylsulfonyl)hexan-1-amine

2-(2-chloroethylsulfonyl)hexan-1-amine (PubChem CID 19834427) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-(2-chloroethylsulfonyl)hexan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethylsulfonyl)hexan-1-amine
PubChem CID19834427
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name2-(2-chloroethylsulfonyl)hexan-1-amine
SMILESCCCCC(CN)S(=O)(=O)CCCl
InChIInChI=1S/C8H18ClNO2S/c1-2-3-4-8(7-10)13(11,12)6-5-9/h8H,2-7,10H2,1H3
InChIKeyNNIWOHHDCDRIDX-UHFFFAOYSA-N
XLogP1.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethylsulfonyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butylsulfonylbutan-1-amine
CID 64698650
2,3-bis(2-chloroethylsulfonyl)propan-1-amine
CID 19915390
1-aminopentadecane-2-sulfonic acid
CID 19067551
2-heptan-4-ylsulfonylethanamine
CID 142872402
3-chloroheptane-1-sulfonamide
CID 91258665
nonane-5-sulfonic acid
CID 22325204
2-(1-aminoheptan-3-ylsulfonyl)acetic acid
CID 176561305
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
1-aminohexan-2-ol;propane-1-sulfonic acid
CID 175457204
1-aminohexan-2-yl propane-1-sulfonate
CID 162430809
1-chloro-1-(2-chloroethylsulfonyl)ethane
CID 118209400
1-pentan-3-ylsulfonyldodecane
CID 90977253

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfonyl)hexan-1-amine?
The IUPAC name of 2-(2-chloroethylsulfonyl)hexan-1-amine (CID 19834427) is 2-(2-chloroethylsulfonyl)hexan-1-amine.
What is the SMILES notation for 2-(2-chloroethylsulfonyl)hexan-1-amine?
The canonical SMILES for 2-(2-chloroethylsulfonyl)hexan-1-amine is CCCCC(CN)S(=O)(=O)CCCl.
What is the InChIKey of 2-(2-chloroethylsulfonyl)hexan-1-amine?
The InChIKey is NNIWOHHDCDRIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2S/c1-2-3-4-8(7-10)13(11,12)6-5-9/h8H,2-7,10H2,1H3.
What are the key properties of 2-(2-chloroethylsulfonyl)hexan-1-amine?
2-(2-chloroethylsulfonyl)hexan-1-amine has a molecular weight of 227.76 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfonyl)hexan-1-amine is sourced from PubChem (CID 19834427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).