N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine

C14H27NS — CID 105187409

IUPACN-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCSCC1)C1CCC1
InChIInChI=1S/C14H27NS/c1-2-8-15-14(13-4-3-5-13)11-12-6-9-16-10-7-12/h12-15H,2-11H2,1H3
InChIKeySLPGRZAECHMAOE-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds6

About N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine

N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine (PubChem CID 105187409) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine
PubChem CID105187409
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCSCC1)C1CCC1
InChIInChI=1S/C14H27NS/c1-2-8-15-14(13-4-3-5-13)11-12-6-9-16-10-7-12/h12-15H,2-11H2,1H3
InChIKeySLPGRZAECHMAOE-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-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

N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine
CID 105187447
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
1,2-di(cyclobutyl)-N-ethylethanamine
CID 65456991
N-[1-cyclopropyl-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103168873
N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine
CID 105138999
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
[1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105313803
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine (CID 105187409) is N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine is CCCNC(CC1CCSCC1)C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine?
The InChIKey is SLPGRZAECHMAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-2-8-15-14(13-4-3-5-13)11-12-6-9-16-10-7-12/h12-15H,2-11H2,1H3.
What are the key properties of N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine?
N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105187409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).