2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol

C15H29NOS — CID 106245683

IUPAC2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C15H29NOS/c1-14(17,12-18-2)11-16-13-5-9-15(10-6-13)7-3-4-8-15/h13,16-17H,3-12H2,1-2H3
InChIKeyLSVIQLZFZPINRC-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.19
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol

2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol (PubChem CID 106245683) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol
PubChem CID106245683
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C15H29NOS/c1-14(17,12-18-2)11-16-13-5-9-15(10-6-13)7-3-4-8-15/h13,16-17H,3-12H2,1-2H3
InChIKeyLSVIQLZFZPINRC-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol with MolForge

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Related Compounds

1-[[(4,4-Dimethylthian-3-yl)amino]methyl]cyclopentan-1-ol
CID 79949058
1-[[(5,5-Dimethylthian-3-yl)amino]methyl]cyclopentan-1-ol
CID 79958738
1-[(2,2-Dimethylcyclopentyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 84588022
3-[[(2,4-Dimethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 86789024
1-(1-Cyclohexylethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 91636397
(2S)-1-[[(1S)-1-cyclohexylethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 99718119
(2S)-1-[[(1R)-1-cyclohexylethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 99718120
(2R)-1-[[(1S)-1-cyclohexylethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 99718121
(2R)-1-[[(1R)-1-cyclohexylethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 99718122
(3S)-3-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]thiolan-3-ol
CID 99854344
(3S)-3-[[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]methyl]thiolan-3-ol
CID 99854345
(3S)-3-[[[(1S,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]thiolan-3-ol
CID 99854346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol (CID 106245683) is 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol is CSCC(C)(O)CNC1CCC2(CCCC2)CC1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol?
The InChIKey is LSVIQLZFZPINRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-14(17,12-18-2)11-16-13-5-9-15(10-6-13)7-3-4-8-15/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol?
2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol has a molecular weight of 271.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol is sourced from PubChem (CID 106245683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).