4-cyclobutylthiolan-3-amine

C8H15NS — CID 84763932

IUPAC4-cyclobutylthiolan-3-amine
SMILESNC1CSCC1C1CCC1
InChIInChI=1S/C8H15NS/c9-8-5-10-4-7(8)6-2-1-3-6/h6-8H,1-5,9H2
InChIKeyMMOBPKYXANSYFV-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.48
Rot. Bonds1

About 4-cyclobutylthiolan-3-amine

4-cyclobutylthiolan-3-amine (PubChem CID 84763932) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-cyclobutylthiolan-3-amine.

Molecular Properties

Compound Name4-cyclobutylthiolan-3-amine
PubChem CID84763932
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-cyclobutylthiolan-3-amine
SMILESNC1CSCC1C1CCC1
InChIInChI=1S/C8H15NS/c9-8-5-10-4-7(8)6-2-1-3-6/h6-8H,1-5,9H2
InChIKeyMMOBPKYXANSYFV-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexylthian-4-amine
CID 82397575
cis-(1S,2R)-2-cyclobutylcyclobutan-1-amine
CID 99715514
(4-cyclobutylthian-3-yl)methanamine
CID 84769832
trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride
CID 134690804
2-cyclohexylcycloheptan-1-amine
CID 62603079
[(1S,2S)-2-cyclobutylcyclopropyl]methanamine
CID 124511176
5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine
CID 14039442
(3S,4R)-4-aminothiolan-3-ol
CID 1361798
(3S,4R)-4-methylthiolan-3-amine
CID 55284315
cis-(1R,2S)-2-cyclopropylcyclopropan-1-amine
CID 91654438
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylthiolan-3-amine?
The IUPAC name of 4-cyclobutylthiolan-3-amine (CID 84763932) is 4-cyclobutylthiolan-3-amine.
What is the SMILES notation for 4-cyclobutylthiolan-3-amine?
The canonical SMILES for 4-cyclobutylthiolan-3-amine is NC1CSCC1C1CCC1.
What is the InChIKey of 4-cyclobutylthiolan-3-amine?
The InChIKey is MMOBPKYXANSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c9-8-5-10-4-7(8)6-2-1-3-6/h6-8H,1-5,9H2.
What are the key properties of 4-cyclobutylthiolan-3-amine?
4-cyclobutylthiolan-3-amine has a molecular weight of 157.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylthiolan-3-amine is sourced from PubChem (CID 84763932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).