4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine

C12H25NS — CID 107132179

IUPAC4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
SMILESCCC(C)CC(C)NCC1CCSC1
InChIInChI=1S/C12H25NS/c1-4-10(2)7-11(3)13-8-12-5-6-14-9-12/h10-13H,4-9H2,1-3H3
InChIKeyVBNIHOBXWIBEOU-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds6

About 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine

4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine (PubChem CID 107132179) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
PubChem CID107132179
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
SMILESCCC(C)CC(C)NCC1CCSC1
InChIInChI=1S/C12H25NS/c1-4-10(2)7-11(3)13-8-12-5-6-14-9-12/h10-13H,4-9H2,1-3H3
InChIKeyVBNIHOBXWIBEOU-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
CID 124674576
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288
2-(thiolan-3-ylmethylamino)butanoic acid
CID 107295403
3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
CID 107295324
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041
N-ethyl-N-methyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107132515
2-(thiolan-3-ylmethylamino)butanamide
CID 107295791
4-[2-(thiolan-3-ylmethylamino)propyl]phenol
CID 107166188
ethyl 2-(thiolan-3-ylmethylamino)propanoate
CID 107131969
1-(2-methylphenyl)-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131856
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131787

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine?
The IUPAC name of 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine (CID 107132179) is 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine.
What is the SMILES notation for 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine?
The canonical SMILES for 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine is CCC(C)CC(C)NCC1CCSC1.
What is the InChIKey of 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine?
The InChIKey is VBNIHOBXWIBEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-10(2)7-11(3)13-8-12-5-6-14-9-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine?
4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine is sourced from PubChem (CID 107132179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).