2-methyl-3-(thiolan-3-yl)propan-1-amine

C8H17NS — CID 117104663

IUPAC2-methyl-3-(thiolan-3-yl)propan-1-amine
SMILESCC(CN)CC1CCSC1
InChIInChI=1S/C8H17NS/c1-7(5-9)4-8-2-3-10-6-8/h7-8H,2-6,9H2,1H3
InChIKeyHKYNJKJQLYDOTM-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-3-(thiolan-3-yl)propan-1-amine

2-methyl-3-(thiolan-3-yl)propan-1-amine (PubChem CID 117104663) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-methyl-3-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(thiolan-3-yl)propan-1-amine
PubChem CID117104663
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-methyl-3-(thiolan-3-yl)propan-1-amine
SMILESCC(CN)CC1CCSC1
InChIInChI=1S/C8H17NS/c1-7(5-9)4-8-2-3-10-6-8/h7-8H,2-6,9H2,1H3
InChIKeyHKYNJKJQLYDOTM-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-methylpropyl)thiolane
CID 89392788
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
(2S)-1-(thian-3-yl)propan-2-amine
CID 157129438
3-methyl-2-(thiolan-3-ylmethyl)butanoic acid
CID 115022743
4-(3-amino-2-methylpropyl)cyclohexan-1-ol
CID 174312157
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178
2-(thiolan-3-yl)butan-1-amine
CID 82596112
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
2-N-(thiolan-3-yl)propane-1,2-diamine
CID 103391245
3-(2,2-dimethylpropyl)thiolane
CID 58797584
2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296028
3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
CID 107295324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiolan-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(thiolan-3-yl)propan-1-amine (CID 117104663) is 2-methyl-3-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(thiolan-3-yl)propan-1-amine is CC(CN)CC1CCSC1.
What is the InChIKey of 2-methyl-3-(thiolan-3-yl)propan-1-amine?
The InChIKey is HKYNJKJQLYDOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(5-9)4-8-2-3-10-6-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-methyl-3-(thiolan-3-yl)propan-1-amine?
2-methyl-3-(thiolan-3-yl)propan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 117104663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).