(2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine

C15H27NS — CID 65139414

IUPAC(2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine
SMILESNCC1(SC2CCCCC2)CC2(CCCC2)C1
InChIInChI=1S/C15H27NS/c16-12-15(17-13-6-2-1-3-7-13)10-14(11-15)8-4-5-9-14/h13H,1-12,16H2
InChIKeyWFLVBRNOHPDGOR-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.10
Rot. Bonds3

About (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine

(2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine (PubChem CID 65139414) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine.

Molecular Properties

Compound Name(2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine
PubChem CID65139414
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name(2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine
SMILESNCC1(SC2CCCCC2)CC2(CCCC2)C1
InChIInChI=1S/C15H27NS/c16-12-15(17-13-6-2-1-3-7-13)10-14(11-15)8-4-5-9-14/h13H,1-12,16H2
InChIKeyWFLVBRNOHPDGOR-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclohexylsulfanylcyclopentyl)methanamine
CID 65139467
(1-cyclopentylsulfanylcyclopropyl)methanamine
CID 65139002
(3-cyclohexylsulfanyloxetan-3-yl)methanamine
CID 117035318
(1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine
CID 66431153
(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine
CID 65138945
[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine
CID 66096585
(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine
CID 65141808
1-cyclohexylsulfanylcyclohexane-1-carbonitrile
CID 65139562
cyclohexylsulfanylmethanamine
CID 18729999
8-(aminomethyl)-N-cyclohexylspiro[4.5]decan-8-amine
CID 114818178
[2-(3-methylphenyl)sulfanylspiro[3.4]octan-2-yl]methanamine
CID 66112356
2-cyclopentylsulfanylethanamine
CID 23401603

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine?
The IUPAC name of (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine (CID 65139414) is (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine.
What is the SMILES notation for (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine?
The canonical SMILES for (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine is NCC1(SC2CCCCC2)CC2(CCCC2)C1.
What is the InChIKey of (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine?
The InChIKey is WFLVBRNOHPDGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c16-12-15(17-13-6-2-1-3-7-13)10-14(11-15)8-4-5-9-14/h13H,1-12,16H2.
What are the key properties of (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine?
(2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine has a molecular weight of 253.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine is sourced from PubChem (CID 65139414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).