3-(2,2-dimethylpropyl)thiolane

C9H18S — CID 58797584

IUPAC3-(2,2-dimethylpropyl)thiolane
SMILESCC(C)(C)CC1CCSC1
InChIInChI=1S/C9H18S/c1-9(2,3)6-8-4-5-10-7-8/h8H,4-7H2,1-3H3
InChIKeyVYLSDAJDUPGSAK-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.18
Rot. Bonds1

About 3-(2,2-dimethylpropyl)thiolane

3-(2,2-dimethylpropyl)thiolane (PubChem CID 58797584) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)thiolane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)thiolane
PubChem CID58797584
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name3-(2,2-dimethylpropyl)thiolane
SMILESCC(C)(C)CC1CCSC1
InChIInChI=1S/C9H18S/c1-9(2,3)6-8-4-5-10-7-8/h8H,4-7H2,1-3H3
InChIKeyVYLSDAJDUPGSAK-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine
CID 84654746
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
CID 105449352
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793
1,1-dimethyl-2-(thiolan-3-ylmethyl)hydrazine
CID 107132348
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
sodium thiolan-3-ylmethanethiolate
CID 20706984
N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210917
methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949
2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166323
1-(thiolan-3-yl)propan-2-one
CID 82651393

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)thiolane?
The IUPAC name of 3-(2,2-dimethylpropyl)thiolane (CID 58797584) is 3-(2,2-dimethylpropyl)thiolane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)thiolane?
The canonical SMILES for 3-(2,2-dimethylpropyl)thiolane is CC(C)(C)CC1CCSC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)thiolane?
The InChIKey is VYLSDAJDUPGSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-9(2,3)6-8-4-5-10-7-8/h8H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)thiolane?
3-(2,2-dimethylpropyl)thiolane has a molecular weight of 158.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)thiolane is sourced from PubChem (CID 58797584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).