N-(3-chloropropyl)-N-methylthiolan-3-amine

C8H16ClNS — CID 61289342

IUPACN-(3-chloropropyl)-N-methylthiolan-3-amine
SMILESCN(CCCCl)C1CCSC1
InChIInChI=1S/C8H16ClNS/c1-10(5-2-4-9)8-3-6-11-7-8/h8H,2-7H2,1H3
InChIKeyAQGNEBITVUHHMB-UHFFFAOYSA-N
MW193.74 g/mol
LogP2.05
Rot. Bonds4

About N-(3-chloropropyl)-N-methylthiolan-3-amine

N-(3-chloropropyl)-N-methylthiolan-3-amine (PubChem CID 61289342) has the molecular formula C8H16ClNS and a molecular weight of 193.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-methylthiolan-3-amine
PubChem CID61289342
Molecular FormulaC8H16ClNS
Molecular Weight193.74 g/mol
Exact Mass193.07
IUPAC NameN-(3-chloropropyl)-N-methylthiolan-3-amine
SMILESCN(CCCCl)C1CCSC1
InChIInChI=1S/C8H16ClNS/c1-10(5-2-4-9)8-3-6-11-7-8/h8H,2-7H2,1H3
InChIKeyAQGNEBITVUHHMB-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.74
LogP ≤ 52.05
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 N-(3-chloropropyl)-N-methylthiolan-3-amine?
The IUPAC name of N-(3-chloropropyl)-N-methylthiolan-3-amine (CID 61289342) is N-(3-chloropropyl)-N-methylthiolan-3-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-methylthiolan-3-amine?
The canonical SMILES for N-(3-chloropropyl)-N-methylthiolan-3-amine is CN(CCCCl)C1CCSC1.
What is the InChIKey of N-(3-chloropropyl)-N-methylthiolan-3-amine?
The InChIKey is AQGNEBITVUHHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNS/c1-10(5-2-4-9)8-3-6-11-7-8/h8H,2-7H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-methylthiolan-3-amine?
N-(3-chloropropyl)-N-methylthiolan-3-amine has a molecular weight of 193.74 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-methylthiolan-3-amine is sourced from PubChem (CID 61289342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).