3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine

C17H31NOS — CID 79922469

IUPAC3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C17H31NOS/c1-2-8-18-16-5-3-4-14(11-16)15-6-9-19-17(12-15)7-10-20-13-17/h14-16,18H,2-13H2,1H3
InChIKeyDZVNUZCZKWOYRO-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.85
Rot. Bonds4

About 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine

3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine (PubChem CID 79922469) has the molecular formula C17H31NOS and a molecular weight of 297.51 g/mol. Its IUPAC name is 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
PubChem CID79922469
Molecular FormulaC17H31NOS
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC Name3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C17H31NOS/c1-2-8-18-16-5-3-4-14(11-16)15-6-9-19-17(12-15)7-10-20-13-17/h14-16,18H,2-13H2,1H3
InChIKeyDZVNUZCZKWOYRO-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-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79923972
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
CID 81033535
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 83261331
N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017704
N-[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]cyclopropanamine
CID 79920791
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903949
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80626644
6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587891

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine (CID 79922469) is 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine is CCCNC1CCCC(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine?
The InChIKey is DZVNUZCZKWOYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NOS/c1-2-8-18-16-5-3-4-14(11-16)15-6-9-19-17(12-15)7-10-20-13-17/h14-16,18H,2-13H2,1H3.
What are the key properties of 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine?
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-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 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79922469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).