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

C13H25NOS — CID 79922985

IUPACN-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
SMILESCNC(C)CCC1CCOC2(CCSC2)C1
InChIInChI=1S/C13H25NOS/c1-11(14-2)3-4-12-5-7-15-13(9-12)6-8-16-10-13/h11-12,14H,3-10H2,1-2H3
InChIKeyFCACXNLYSDDEAG-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.68
Rot. Bonds4

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

N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine (PubChem CID 79922985) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
PubChem CID79922985
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
SMILESCNC(C)CCC1CCOC2(CCSC2)C1
InChIInChI=1S/C13H25NOS/c1-11(14-2)3-4-12-5-7-15-13(9-12)6-8-16-10-13/h11-12,14H,3-10H2,1-2H3
InChIKeyFCACXNLYSDDEAG-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

Analyze N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-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

4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol
CID 79923999
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
CID 79923117
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
N-[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]cyclopropanamine
CID 79920791
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-one
CID 79894494
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylpropan-1-amine
CID 79922745
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79923979
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
[3-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propyl]hydrazine
CID 105325937
N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 105017880

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine?
The IUPAC name of N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine (CID 79922985) is N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine is CNC(C)CCC1CCOC2(CCSC2)C1.
What is the InChIKey of N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine?
The InChIKey is FCACXNLYSDDEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-11(14-2)3-4-12-5-7-15-13(9-12)6-8-16-10-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine?
N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-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 N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine is sourced from PubChem (CID 79922985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).