N-(4-butylcyclohexyl)thiolan-3-amine

C14H27NS — CID 115713977

IUPACN-(4-butylcyclohexyl)thiolan-3-amine
SMILESCCCCC1CCC(NC2CCSC2)CC1
InChIInChI=1S/C14H27NS/c1-2-3-4-12-5-7-13(8-6-12)15-14-9-10-16-11-14/h12-15H,2-11H2,1H3
InChIKeyWLCZNMULURDHNG-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds5

About N-(4-butylcyclohexyl)thiolan-3-amine

N-(4-butylcyclohexyl)thiolan-3-amine (PubChem CID 115713977) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-(4-butylcyclohexyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(4-butylcyclohexyl)thiolan-3-amine
PubChem CID115713977
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-(4-butylcyclohexyl)thiolan-3-amine
SMILESCCCCC1CCC(NC2CCSC2)CC1
InChIInChI=1S/C14H27NS/c1-2-3-4-12-5-7-13(8-6-12)15-14-9-10-16-11-14/h12-15H,2-11H2,1H3
InChIKeyWLCZNMULURDHNG-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentylthiolan-3-amine
CID 43177655
4-butylthian-3-amine
CID 84766556
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
CID 131110851
hexane;pentylcyclopropane
CID 159592467
N-(4-pentylcyclohexyl)formamide
CID 118946669
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851
N-(2-ethylcyclopropyl)thiolan-3-amine
CID 103783743
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606

Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexyl)thiolan-3-amine?
The IUPAC name of N-(4-butylcyclohexyl)thiolan-3-amine (CID 115713977) is N-(4-butylcyclohexyl)thiolan-3-amine.
What is the SMILES notation for N-(4-butylcyclohexyl)thiolan-3-amine?
The canonical SMILES for N-(4-butylcyclohexyl)thiolan-3-amine is CCCCC1CCC(NC2CCSC2)CC1.
What is the InChIKey of N-(4-butylcyclohexyl)thiolan-3-amine?
The InChIKey is WLCZNMULURDHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-2-3-4-12-5-7-13(8-6-12)15-14-9-10-16-11-14/h12-15H,2-11H2,1H3.
What are the key properties of N-(4-butylcyclohexyl)thiolan-3-amine?
N-(4-butylcyclohexyl)thiolan-3-amine has a molecular weight of 241.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexyl)thiolan-3-amine is sourced from PubChem (CID 115713977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).