2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine

C11H24ClNS — CID 154129046

IUPAC2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CC(Cl)CSCC
InChIInChI=1S/C11H24ClNS/c1-4-7-13(8-5-2)9-11(12)10-14-6-3/h11H,4-10H2,1-3H3
InChIKeyJVPSQYCVDARKSD-UHFFFAOYSA-N
MW237.84 g/mol
LogP3.47
Rot. Bonds9

About 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine

2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine (PubChem CID 154129046) has the molecular formula C11H24ClNS and a molecular weight of 237.84 g/mol. Its IUPAC name is 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine
PubChem CID154129046
Molecular FormulaC11H24ClNS
Molecular Weight237.84 g/mol
Exact Mass237.13
IUPAC Name2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CC(Cl)CSCC
InChIInChI=1S/C11H24ClNS/c1-4-7-13(8-5-2)9-11(12)10-14-6-3/h11H,4-10H2,1-3H3
InChIKeyJVPSQYCVDARKSD-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.84
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine?
The IUPAC name of 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine (CID 154129046) is 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine?
The canonical SMILES for 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine is CCCN(CCC)CC(Cl)CSCC.
What is the InChIKey of 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine?
The InChIKey is JVPSQYCVDARKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNS/c1-4-7-13(8-5-2)9-11(12)10-14-6-3/h11H,4-10H2,1-3H3.
What are the key properties of 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine?
2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine has a molecular weight of 237.84 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethylsulfanyl-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 154129046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).