3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile

C14H22N2OS — CID 79903016

IUPAC3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile
SMILESN#CCCN(C1CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H22N2OS/c15-6-1-7-16(12-2-3-12)13-4-8-17-14(10-13)5-9-18-11-14/h12-13H,1-5,7-11H2
InChIKeyVPRDTXJBASXHLY-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.42
Rot. Bonds4

About 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile

3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile (PubChem CID 79903016) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile
PubChem CID79903016
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile
SMILESN#CCCN(C1CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H22N2OS/c15-6-1-7-16(12-2-3-12)13-4-8-17-14(10-13)5-9-18-11-14/h12-13H,1-5,7-11H2
InChIKeyVPRDTXJBASXHLY-UHFFFAOYSA-N
XLogP2.42
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile with MolForge

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Related Compounds

N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898827
N'-cyclobutyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 102875329
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]acetonitrile
CID 79903096
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900011
3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565
1-N-ethyl-4-N-methyl-4-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexane-1,4-diamine
CID 79902820
2-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]ethanethioamide
CID 79901099
N',2,2-trimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79900624
3-N-methyl-3-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,3-diamine
CID 79897829
2-[methyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893827
N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
CID 107173436

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile (CID 79903016) is 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile is N#CCCN(C1CC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile?
The InChIKey is VPRDTXJBASXHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c15-6-1-7-16(12-2-3-12)13-4-8-17-14(10-13)5-9-18-11-14/h12-13H,1-5,7-11H2.
What are the key properties of 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile?
3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile has a molecular weight of 266.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile is sourced from PubChem (CID 79903016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).