3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine

C5H14ClNS — CID 12900277

IUPAC3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine
SMILESCS(C)(Cl)CCCN
InChIInChI=1S/C5H14ClNS/c1-8(2,6)5-3-4-7/h3-5,7H2,1-2H3
InChIKeyXYHWBKIVZXBRRM-UHFFFAOYSA-N
MW155.69 g/mol
LogP1.55
Rot. Bonds3

About 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine

3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine (PubChem CID 12900277) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine
PubChem CID12900277
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC Name3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine
SMILESCS(C)(Cl)CCCN
InChIInChI=1S/C5H14ClNS/c1-8(2,6)5-3-4-7/h3-5,7H2,1-2H3
InChIKeyXYHWBKIVZXBRRM-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.69
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine?
The IUPAC name of 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine (CID 12900277) is 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine.
What is the SMILES notation for 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine?
The canonical SMILES for 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine is CS(C)(Cl)CCCN.
What is the InChIKey of 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine?
The InChIKey is XYHWBKIVZXBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14ClNS/c1-8(2,6)5-3-4-7/h3-5,7H2,1-2H3.
What are the key properties of 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine?
3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine has a molecular weight of 155.69 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(dimethyl)-λ4-sulfanyl]propan-1-amine is sourced from PubChem (CID 12900277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).