3-methyl-1-(thiolan-3-yl)butan-1-amine

C9H19NS — CID 105083374

IUPAC3-methyl-1-(thiolan-3-yl)butan-1-amine
SMILESCC(C)CC(N)C1CCSC1
InChIInChI=1S/C9H19NS/c1-7(2)5-9(10)8-3-4-11-6-8/h7-9H,3-6,10H2,1-2H3
InChIKeySLTSCWMUEIVVAH-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.11
Rot. Bonds3

About 3-methyl-1-(thiolan-3-yl)butan-1-amine

3-methyl-1-(thiolan-3-yl)butan-1-amine (PubChem CID 105083374) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-methyl-1-(thiolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(thiolan-3-yl)butan-1-amine
PubChem CID105083374
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-methyl-1-(thiolan-3-yl)butan-1-amine
SMILESCC(C)CC(N)C1CCSC1
InChIInChI=1S/C9H19NS/c1-7(2)5-9(10)8-3-4-11-6-8/h7-9H,3-6,10H2,1-2H3
InChIKeySLTSCWMUEIVVAH-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(thiolan-3-yl)ethanamine
CID 105152914
3-(1-chloro-4-methylpentan-2-yl)thiolane
CID 165443604
1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-(thiolan-3-yl)heptan-1-amine
CID 105126325
4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine
CID 116937215
2-methyl-1-(thiolan-3-yl)pentan-1-amine
CID 107893917
[4-methyl-1-(thiolan-3-yl)pentyl]hydrazine
CID 105294315
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
3-(1-bromopropan-2-yl)thiolane
CID 165442425
1-(thian-4-yl)ethanamine
CID 82417750
1-(azetidin-3-yl)-3-methylbutan-1-amine
CID 116935262
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiolan-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(thiolan-3-yl)butan-1-amine (CID 105083374) is 3-methyl-1-(thiolan-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(thiolan-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(thiolan-3-yl)butan-1-amine is CC(C)CC(N)C1CCSC1.
What is the InChIKey of 3-methyl-1-(thiolan-3-yl)butan-1-amine?
The InChIKey is SLTSCWMUEIVVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-7(2)5-9(10)8-3-4-11-6-8/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 3-methyl-1-(thiolan-3-yl)butan-1-amine?
3-methyl-1-(thiolan-3-yl)butan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiolan-3-yl)butan-1-amine is sourced from PubChem (CID 105083374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).