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

C14H27NOS — CID 79895208

IUPACN-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCC(C)CCCNC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NOS/c1-12(2)4-3-7-15-13-5-8-16-14(10-13)6-9-17-11-14/h12-13,15H,3-11H2,1-2H3
InChIKeyJMTPUMRYVIGDQK-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.07
Rot. Bonds5

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

N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79895208) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79895208
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCC(C)CCCNC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NOS/c1-12(2)4-3-7-15-13-5-8-16-14(10-13)6-9-17-11-14/h12-13,15H,3-11H2,1-2H3
InChIKeyJMTPUMRYVIGDQK-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106045761
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 113484095
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
CID 79895464
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79895208) is N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is CC(C)CCCNC1CCOC2(CCSC2)C1.
What is the InChIKey of N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is JMTPUMRYVIGDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-12(2)4-3-7-15-13-5-8-16-14(10-13)6-9-17-11-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 257.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).