4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine

C13H25NOS — CID 104530194

IUPAC4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCC(NCC2CCSCC2)CC1
InChIInChI=1S/C13H25NOS/c1-15-13-4-2-12(3-5-13)14-10-11-6-8-16-9-7-11/h11-14H,2-10H2,1H3
InChIKeyOWTWQRIKYPORTO-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.68
Rot. Bonds4

About 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine

4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine (PubChem CID 104530194) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine
PubChem CID104530194
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCC(NCC2CCSCC2)CC1
InChIInChI=1S/C13H25NOS/c1-15-13-4-2-12(3-5-13)14-10-11-6-8-16-9-7-11/h11-14H,2-10H2,1H3
InChIKeyOWTWQRIKYPORTO-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 115653911
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104530558
1-ethyl-N-(thian-4-ylmethyl)azepan-4-amine
CID 113487394
4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine
CID 115719869
4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 104530001
4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 104530318
N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
N-[2-(cyclopropylmethoxy)ethyl]-4-methoxycyclohexan-1-amine
CID 104530185

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine (CID 104530194) is 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine is COC1CCC(NCC2CCSCC2)CC1.
What is the InChIKey of 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is OWTWQRIKYPORTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-15-13-4-2-12(3-5-13)14-10-11-6-8-16-9-7-11/h11-14H,2-10H2,1H3.
What are the key properties of 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine?
4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 104530194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).