2-methylpropan-1-amine;sulfane

C4H13NS — CID 88707827

IUPAC2-methylpropan-1-amine;sulfane
SMILESCC(C)CN.S
InChIInChI=1S/C4H11N.H2S/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H2
InChIKeyKTVYIRKBIIUURR-UHFFFAOYSA-N
MW107.22 g/mol
LogP0.71
Rot. Bonds1

About 2-methylpropan-1-amine;sulfane

2-methylpropan-1-amine;sulfane (PubChem CID 88707827) has the molecular formula C4H13NS and a molecular weight of 107.22 g/mol. Its IUPAC name is 2-methylpropan-1-amine;sulfane.

Molecular Properties

Compound Name2-methylpropan-1-amine;sulfane
PubChem CID88707827
Molecular FormulaC4H13NS
Molecular Weight107.22 g/mol
Exact Mass107.08
IUPAC Name2-methylpropan-1-amine;sulfane
SMILESCC(C)CN.S
InChIInChI=1S/C4H11N.H2S/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H2
InChIKeyKTVYIRKBIIUURR-UHFFFAOYSA-N
XLogP0.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isoamylamine
CID 7894
Isobutylamine
CID 6558
2-Methylbutylamine
CID 7283
2-Methylbutylamine, (S)-
CID 2724272
Isobutylammonium
CID 3041751
1-Propanamine, 2-methyl-, conjugate acid
CID 7311734
(2R)-2-methylbutan-1-amine
CID 641006
Isobutylamine Hydrochloride
CID 12206183
2-Methyl-1,3-propanediamine
CID 14499052
Isobutylamine Hydrobromide
CID 85987475
Isobutylaminehydrochloride
CID 21133
Isobutylamine Hydroiodide
CID 88371729

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-amine;sulfane?
The IUPAC name of 2-methylpropan-1-amine;sulfane (CID 88707827) is 2-methylpropan-1-amine;sulfane.
What is the SMILES notation for 2-methylpropan-1-amine;sulfane?
The canonical SMILES for 2-methylpropan-1-amine;sulfane is CC(C)CN.S.
What is the InChIKey of 2-methylpropan-1-amine;sulfane?
The InChIKey is KTVYIRKBIIUURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.H2S/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H2.
What are the key properties of 2-methylpropan-1-amine;sulfane?
2-methylpropan-1-amine;sulfane has a molecular weight of 107.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-amine;sulfane is sourced from PubChem (CID 88707827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).