5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol

C14H29NOS — CID 106144566

IUPAC5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNC1CSCC(C)(C)C1
InChIInChI=1S/C14H29NOS/c1-13(2,6-5-7-16)10-15-12-8-14(3,4)11-17-9-12/h12,15-16H,5-11H2,1-4H3
InChIKeyWYMUQMBOPOKQLJ-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.91
Rot. Bonds6

About 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol

5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106144566) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106144566
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNC1CSCC(C)(C)C1
InChIInChI=1S/C14H29NOS/c1-13(2,6-5-7-16)10-15-12-8-14(3,4)11-17-9-12/h12,15-16H,5-11H2,1-4H3
InChIKeyWYMUQMBOPOKQLJ-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol
CID 135393428
4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol
CID 106144327
1-[(5,5-dimethylthian-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246032
[1-[[(5,5-dimethylthian-3-yl)amino]methyl]cyclopropyl]methanol
CID 115454320
(4R)-5-(1,4-dithiepan-6-ylamino)-4-methylpentane-1,4-diol
CID 95196944
3,3-dimethyl-4-(thian-3-ylamino)butan-1-ol
CID 115882204
2-[(5,5-dimethylthian-3-yl)amino]-2-ethylpropane-1,3-diol
CID 107864992
2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 112682236
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
CID 106147150
N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine
CID 79956232
2-[(5,5-dimethylthian-3-yl)amino]-2-methylpentanoic acid
CID 79946766
5,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]thian-3-amine
CID 82720584

Frequently Asked Questions

What is the IUPAC name of 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol (CID 106144566) is 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNC1CSCC(C)(C)C1.
What is the InChIKey of 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is WYMUQMBOPOKQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-13(2,6-5-7-16)10-15-12-8-14(3,4)11-17-9-12/h12,15-16H,5-11H2,1-4H3.
What are the key properties of 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 259.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106144566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).