5-methyl-N-(2-methylpropyl)thiolan-3-amine

C9H19NS — CID 57201026

IUPAC5-methyl-N-(2-methylpropyl)thiolan-3-amine
SMILESCC(C)CNC1CSC(C)C1
InChIInChI=1S/C9H19NS/c1-7(2)5-10-9-4-8(3)11-6-9/h7-10H,4-6H2,1-3H3
InChIKeyJUOLZNQVJUDLJC-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds3

About 5-methyl-N-(2-methylpropyl)thiolan-3-amine

5-methyl-N-(2-methylpropyl)thiolan-3-amine (PubChem CID 57201026) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)thiolan-3-amine
PubChem CID57201026
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name5-methyl-N-(2-methylpropyl)thiolan-3-amine
SMILESCC(C)CNC1CSC(C)C1
InChIInChI=1S/C9H19NS/c1-7(2)5-10-9-4-8(3)11-6-9/h7-10H,4-6H2,1-3H3
InChIKeyJUOLZNQVJUDLJC-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxypropyl)-5-methylthiolan-3-amine
CID 102696500
5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine
CID 79950914
2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide
CID 79941340
5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine
CID 79950674
5-methyl-N-pent-3-ynylthiolan-3-amine
CID 116642802
N',N'-diethyl-N-(5-methylthiolan-3-yl)propane-1,3-diamine
CID 79941874
N-(4-methoxybutan-2-yl)-5-methylthiolan-3-amine
CID 79950809
1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 79949972
N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine
CID 81384917
2-bromo-N-(5-methylthiolan-3-yl)propanamide
CID 130827195
2-methyl-4-(2-methylpropyl)thiolane
CID 57202596
5-methyl-N-(2-morpholin-4-ylethyl)thiolan-3-amine
CID 79942338

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(2-methylpropyl)thiolan-3-amine (CID 57201026) is 5-methyl-N-(2-methylpropyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)thiolan-3-amine is CC(C)CNC1CSC(C)C1.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)thiolan-3-amine?
The InChIKey is JUOLZNQVJUDLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-7(2)5-10-9-4-8(3)11-6-9/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-methyl-N-(2-methylpropyl)thiolan-3-amine?
5-methyl-N-(2-methylpropyl)thiolan-3-amine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)thiolan-3-amine is sourced from PubChem (CID 57201026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).