1-(thiolan-3-yl)heptan-1-amine

C11H23NS — CID 105126325

IUPAC1-(thiolan-3-yl)heptan-1-amine
SMILESCCCCCCC(N)C1CCSC1
InChIInChI=1S/C11H23NS/c1-2-3-4-5-6-11(12)10-7-8-13-9-10/h10-11H,2-9,12H2,1H3
InChIKeyPSVNWPNIEUMLHN-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.04
Rot. Bonds6

About 1-(thiolan-3-yl)heptan-1-amine

1-(thiolan-3-yl)heptan-1-amine (PubChem CID 105126325) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-(thiolan-3-yl)heptan-1-amine.

Molecular Properties

Compound Name1-(thiolan-3-yl)heptan-1-amine
PubChem CID105126325
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-(thiolan-3-yl)heptan-1-amine
SMILESCCCCCCC(N)C1CCSC1
InChIInChI=1S/C11H23NS/c1-2-3-4-5-6-11(12)10-7-8-13-9-10/h10-11H,2-9,12H2,1H3
InChIKeyPSVNWPNIEUMLHN-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(thiolan-3-yl)heptan-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

1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-cyclobutylnonan-1-amine
CID 64986616
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
1-cycloheptylheptan-1-amine
CID 65399314
1-(thian-4-yl)dodecan-2-amine
CID 105138170
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
3-methyl-1-(thiolan-3-yl)butan-1-amine
CID 105083374
2-cyclopropyl-1-(thiolan-3-yl)ethanamine
CID 105152914
1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
CID 144564960
3-(1-aminodecyl)cyclohexan-1-amine
CID 139824543

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)heptan-1-amine?
The IUPAC name of 1-(thiolan-3-yl)heptan-1-amine (CID 105126325) is 1-(thiolan-3-yl)heptan-1-amine.
What is the SMILES notation for 1-(thiolan-3-yl)heptan-1-amine?
The canonical SMILES for 1-(thiolan-3-yl)heptan-1-amine is CCCCCCC(N)C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)heptan-1-amine?
The InChIKey is PSVNWPNIEUMLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-3-4-5-6-11(12)10-7-8-13-9-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-(thiolan-3-yl)heptan-1-amine?
1-(thiolan-3-yl)heptan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)heptan-1-amine is sourced from PubChem (CID 105126325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).