N-(aminosulfinimidoyl)-2-methylpropan-1-amine

C4H13N3S — CID 176610726

IUPACN-(aminosulfinimidoyl)-2-methylpropan-1-amine
SMILES[H]/N=S(\N)NCC(C)C
InChIInChI=1S/C4H13N3S/c1-4(2)3-7-8(5)6/h4H,3H2,1-2H3,(H4,5,6,7)
InChIKeySFEQPPHAURKBAX-UHFFFAOYSA-N
MW135.24 g/mol
LogP0.40
Rot. Bonds3

About N-(aminosulfinimidoyl)-2-methylpropan-1-amine

N-(aminosulfinimidoyl)-2-methylpropan-1-amine (PubChem CID 176610726) has the molecular formula C4H13N3S and a molecular weight of 135.24 g/mol. Its IUPAC name is N-(aminosulfinimidoyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(aminosulfinimidoyl)-2-methylpropan-1-amine
PubChem CID176610726
Molecular FormulaC4H13N3S
Molecular Weight135.24 g/mol
Exact Mass135.08
IUPAC NameN-(aminosulfinimidoyl)-2-methylpropan-1-amine
SMILES[H]/N=S(\N)NCC(C)C
InChIInChI=1S/C4H13N3S/c1-4(2)3-7-8(5)6/h4H,3H2,1-2H3,(H4,5,6,7)
InChIKeySFEQPPHAURKBAX-UHFFFAOYSA-N
XLogP0.40
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutylamine
CID 6558
1-Propanamine, 2-methyl-, conjugate acid
CID 7311734
Isobutylammonium
CID 3041751
2-Methyl-1,3-propanediamine
CID 14499052
Diamino-2-methylpropane
CID 21872147
2-Methyl-mercapto-propylamine
CID 89379721
Thiobis(2-ethylamine)
CID 129677063
(2-Methylpropylamino) thiohypofluorite
CID 156509508
2-methyl-N-(methylsulfamoyl)propan-1-amine
CID 84282192
CID 134853483
CID 134853483
CID 5476688
CID 5476688
CID 13446551
CID 13446551

Frequently Asked Questions

What is the IUPAC name of N-(aminosulfinimidoyl)-2-methylpropan-1-amine?
The IUPAC name of N-(aminosulfinimidoyl)-2-methylpropan-1-amine (CID 176610726) is N-(aminosulfinimidoyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(aminosulfinimidoyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(aminosulfinimidoyl)-2-methylpropan-1-amine is [H]/N=S(\N)NCC(C)C.
What is the InChIKey of N-(aminosulfinimidoyl)-2-methylpropan-1-amine?
The InChIKey is SFEQPPHAURKBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3S/c1-4(2)3-7-8(5)6/h4H,3H2,1-2H3,(H4,5,6,7).
What are the key properties of N-(aminosulfinimidoyl)-2-methylpropan-1-amine?
N-(aminosulfinimidoyl)-2-methylpropan-1-amine has a molecular weight of 135.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminosulfinimidoyl)-2-methylpropan-1-amine is sourced from PubChem (CID 176610726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).