N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

C17H31NOS — CID 79895635

IUPACN-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCC1CCC(CNC2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C17H31NOS/c1-2-14-3-5-15(6-4-14)12-18-16-7-9-19-17(11-16)8-10-20-13-17/h14-16,18H,2-13H2,1H3
InChIKeyZJDMBBGQJKADKN-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.85
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79895635) has the molecular formula C17H31NOS and a molecular weight of 297.51 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79895635
Molecular FormulaC17H31NOS
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCC1CCC(CNC2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C17H31NOS/c1-2-14-3-5-15(6-4-14)12-18-16-7-9-19-17(11-16)8-10-20-13-17/h14-16,18H,2-13H2,1H3
InChIKeyZJDMBBGQJKADKN-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine
CID 115307359
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902634
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897871
3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol
CID 106129756
5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
CID 79903904
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
N-(1-ethoxypropan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895529
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N'-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106045761
(5S,9S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 129429099
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79895635) is N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is CCC1CCC(CNC2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is ZJDMBBGQJKADKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NOS/c1-2-14-3-5-15(6-4-14)12-18-16-7-9-19-17(11-16)8-10-20-13-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 297.51 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).