N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine

C14H27NS — CID 105153759

IUPACN-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)CC1)C1CCSC1
InChIInChI=1S/C14H27NS/c1-3-15-14(13-8-9-16-10-13)12-6-4-11(2)5-7-12/h11-15H,3-10H2,1-2H3
InChIKeyOOIQZNAADAZMNV-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.54
Rot. Bonds4

About N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine

N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine (PubChem CID 105153759) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
PubChem CID105153759
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)CC1)C1CCSC1
InChIInChI=1S/C14H27NS/c1-3-15-14(13-8-9-16-10-13)12-6-4-11(2)5-7-12/h11-15H,3-10H2,1-2H3
InChIKeyOOIQZNAADAZMNV-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105156124
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-3-yl)methyl]ethanamine
CID 105170844
N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423231
N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105078063
N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908697
N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine
CID 105158299
2-(ethylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132908
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829
N-[1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105081992
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine (CID 105153759) is N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine is CCNC(C1CCC(C)CC1)C1CCSC1.
What is the InChIKey of N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine?
The InChIKey is OOIQZNAADAZMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-3-15-14(13-8-9-16-10-13)12-6-4-11(2)5-7-12/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine?
N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine has a molecular weight of 241.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105153759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).