N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine

C14H27NOS — CID 107756825

IUPACN-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)SC1CCOC1C
InChIInChI=1S/C14H27NOS/c1-11(17-14-8-9-16-12(14)2)10-15-13-6-4-3-5-7-13/h11-15H,3-10H2,1-2H3
InChIKeyYHIAWGZXZTZBGK-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine

N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine (PubChem CID 107756825) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine
PubChem CID107756825
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)SC1CCOC1C
InChIInChI=1S/C14H27NOS/c1-11(17-14-8-9-16-12(14)2)10-15-13-6-4-3-5-7-13/h11-15H,3-10H2,1-2H3
InChIKeyYHIAWGZXZTZBGK-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-ethyl-5-(3-methoxypropyl)thiolan-3-amine
CID 56978519
5-(3-methoxypropyl)-N-propylthiolan-3-amine
CID 57023826
(3R,5R)-5-(2-ethoxyethyl)-N-propylthiolan-3-amine
CID 57096331
(3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine
CID 57139409
5-(2-ethoxyethyl)-N-propylthiolan-3-amine
CID 57214386
(5R)-5-(3-methoxypropyl)-N-propylthiolan-3-amine
CID 57272165
N-ethyl-5-(3-methoxypropyl)thiolan-3-amine
CID 57277337
4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
CID 107295378
2-(Cyclohexyloxymethyl)-4-methylsulfanylpyrrolidine
CID 142151804
N-[[5-(propan-2-yloxymethyl)thiolan-2-yl]methyl]propan-2-amine
CID 176646147
(3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine
CID 28720066
(3S)-N-(3-cyclohexyloxypropyl)thiolan-3-amine
CID 28720070

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine?
The IUPAC name of N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine (CID 107756825) is N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine.
What is the SMILES notation for N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine?
The canonical SMILES for N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine is CC(CNC1CCCCC1)SC1CCOC1C.
What is the InChIKey of N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine?
The InChIKey is YHIAWGZXZTZBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-11(17-14-8-9-16-12(14)2)10-15-13-6-4-3-5-7-13/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine?
N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine has a molecular weight of 257.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine is sourced from PubChem (CID 107756825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).