(3-cyclohexylsulfanyloxetan-3-yl)methanamine

C10H19NOS — CID 117035318

IUPAC(3-cyclohexylsulfanyloxetan-3-yl)methanamine
SMILESNCC1(SC2CCCCC2)COC1
InChIInChI=1S/C10H19NOS/c11-6-10(7-12-8-10)13-9-4-2-1-3-5-9/h9H,1-8,11H2
InChIKeyNJJYNFGYKUDGHR-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.78
Rot. Bonds3

About (3-cyclohexylsulfanyloxetan-3-yl)methanamine

(3-cyclohexylsulfanyloxetan-3-yl)methanamine (PubChem CID 117035318) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is (3-cyclohexylsulfanyloxetan-3-yl)methanamine.

Molecular Properties

Compound Name(3-cyclohexylsulfanyloxetan-3-yl)methanamine
PubChem CID117035318
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name(3-cyclohexylsulfanyloxetan-3-yl)methanamine
SMILESNCC1(SC2CCCCC2)COC1
InChIInChI=1S/C10H19NOS/c11-6-10(7-12-8-10)13-9-4-2-1-3-5-9/h9H,1-8,11H2
InChIKeyNJJYNFGYKUDGHR-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclohexylsulfanylcyclopentyl)methanamine
CID 65139467
(1-cyclopentylsulfanylcyclopropyl)methanamine
CID 65139002
(2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine
CID 65139414
(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine
CID 65138945
[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
CID 116930585
(1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine
CID 66431153
[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
cyclohexylsulfanylmethanamine
CID 18729999
[3-(aminomethyl)oxetan-3-yl]-cyclopentylmethanamine
CID 116945013
cyclohexyl thiohypochlorite
CID 174496435
3-cyclohexylsulfanylbutan-1-amine
CID 60913150
[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
CID 116602976

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylsulfanyloxetan-3-yl)methanamine?
The IUPAC name of (3-cyclohexylsulfanyloxetan-3-yl)methanamine (CID 117035318) is (3-cyclohexylsulfanyloxetan-3-yl)methanamine.
What is the SMILES notation for (3-cyclohexylsulfanyloxetan-3-yl)methanamine?
The canonical SMILES for (3-cyclohexylsulfanyloxetan-3-yl)methanamine is NCC1(SC2CCCCC2)COC1.
What is the InChIKey of (3-cyclohexylsulfanyloxetan-3-yl)methanamine?
The InChIKey is NJJYNFGYKUDGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c11-6-10(7-12-8-10)13-9-4-2-1-3-5-9/h9H,1-8,11H2.
What are the key properties of (3-cyclohexylsulfanyloxetan-3-yl)methanamine?
(3-cyclohexylsulfanyloxetan-3-yl)methanamine has a molecular weight of 201.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfanyloxetan-3-yl)methanamine is sourced from PubChem (CID 117035318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).