N-(3-cyclohexyloxypropyl)thian-4-amine

C14H27NOS — CID 43394944

IUPACN-(3-cyclohexyloxypropyl)thian-4-amine
SMILESC1CCC(OCCCNC2CCSCC2)CC1
InChIInChI=1S/C14H27NOS/c1-2-5-14(6-3-1)16-10-4-9-15-13-7-11-17-12-8-13/h13-15H,1-12H2
InChIKeyKELALXJHABRLMU-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.21
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)thian-4-amine

N-(3-cyclohexyloxypropyl)thian-4-amine (PubChem CID 43394944) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)thian-4-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)thian-4-amine
PubChem CID43394944
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-(3-cyclohexyloxypropyl)thian-4-amine
SMILESC1CCC(OCCCNC2CCSCC2)CC1
InChIInChI=1S/C14H27NOS/c1-2-5-14(6-3-1)16-10-4-9-15-13-7-11-17-12-8-13/h13-15H,1-12H2
InChIKeyKELALXJHABRLMU-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride
CID 115598277
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
1-N-(3-cyclohexyloxypropyl)cyclohexane-1,3-diamine
CID 79458447
N-(5-methoxypentyl)thian-4-amine
CID 103631860
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
N-(2-cyclopentyloxyethyl)thian-3-amine
CID 63825120
3-cyclohexyloxy-N-(dicyclopropylmethyl)propan-1-amine
CID 43362870

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)thian-4-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)thian-4-amine (CID 43394944) is N-(3-cyclohexyloxypropyl)thian-4-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)thian-4-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)thian-4-amine is C1CCC(OCCCNC2CCSCC2)CC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)thian-4-amine?
The InChIKey is KELALXJHABRLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-2-5-14(6-3-1)16-10-4-9-15-13-7-11-17-12-8-13/h13-15H,1-12H2.
What are the key properties of N-(3-cyclohexyloxypropyl)thian-4-amine?
N-(3-cyclohexyloxypropyl)thian-4-amine has a molecular weight of 257.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)thian-4-amine is sourced from PubChem (CID 43394944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).