3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine

C11H24ClNO2S — CID 106730857

IUPAC3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine
SMILESCCCS(=O)(=O)CCN(CCCCl)C(C)C
InChIInChI=1S/C11H24ClNO2S/c1-4-9-16(14,15)10-8-13(11(2)3)7-5-6-12/h11H,4-10H2,1-3H3
InChIKeySJBYAQKTPASKEV-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.15
Rot. Bonds9

About 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine

3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine (PubChem CID 106730857) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine
PubChem CID106730857
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC Name3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine
SMILESCCCS(=O)(=O)CCN(CCCCl)C(C)C
InChIInChI=1S/C11H24ClNO2S/c1-4-9-16(14,15)10-8-13(11(2)3)7-5-6-12/h11H,4-10H2,1-3H3
InChIKeySJBYAQKTPASKEV-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.15
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-propylsulfonylethyl)propan-2-amine
CID 106730904
N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
CID 106722606
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
1-propylsulfonylpropane
CID 11709
1-chloro-3-(2-propylsulfonylethylsulfanyl)propane
CID 106736039
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
3-[3-ethylsulfonylpropyl(propan-2-yl)amino]propanoic acid
CID 65097829
3-chloro-N-[(E)-3-chloroprop-2-enyl]-N-propan-2-ylpropan-1-amine
CID 107900968

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine?
The IUPAC name of 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine (CID 106730857) is 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine?
The canonical SMILES for 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine is CCCS(=O)(=O)CCN(CCCCl)C(C)C.
What is the InChIKey of 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine?
The InChIKey is SJBYAQKTPASKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-4-9-16(14,15)10-8-13(11(2)3)7-5-6-12/h11H,4-10H2,1-3H3.
What are the key properties of 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine?
3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine has a molecular weight of 269.84 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 106730857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).