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

C4H11NS2 — CID 134400145

IUPACN-(disulfanyl)-2-methylpropan-1-amine
SMILESCC(C)CNSS
InChIInChI=1S/C4H11NS2/c1-4(2)3-5-7-6/h4-6H,3H2,1-2H3
InChIKeyFGRGASIKRKBORZ-UHFFFAOYSA-N
MW137.27 g/mol
LogP1.73
Rot. Bonds3

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

N-(disulfanyl)-2-methylpropan-1-amine (PubChem CID 134400145) has the molecular formula C4H11NS2 and a molecular weight of 137.27 g/mol. Its IUPAC name is N-(disulfanyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(disulfanyl)-2-methylpropan-1-amine
PubChem CID134400145
Molecular FormulaC4H11NS2
Molecular Weight137.27 g/mol
Exact Mass137.03
IUPAC NameN-(disulfanyl)-2-methylpropan-1-amine
SMILESCC(C)CNSS
InChIInChI=1S/C4H11NS2/c1-4(2)3-5-7-6/h4-6H,3H2,1-2H3
InChIKeyFGRGASIKRKBORZ-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Isobutylamine
CID 6558
Isobutylammonium
CID 3041751
1-Propanamine, 2-methyl-, conjugate acid
CID 7311734
2-Methyl-mercapto-propylamine
CID 89379721
(2-Methylpropylamino) thiohypofluorite
CID 156509508
CID 134853483
CID 134853483
CID 5476688
CID 5476688
ethane;N-propylthiohydroxylamine
CID 23139650
2,3,3,3-Tetradeuterio-2-methylpropan-1-amine
CID 58475012
1,1,2,3,3,3-Hexadeuterio-2-methylpropan-1-amine
CID 58475030
2-Methylpropyl-d9-amine
CID 59317335
2,3,3,3-Tetradeuterio-2-(trideuteriomethyl)propan-1-amine
CID 59317346

Frequently Asked Questions

What is the IUPAC name of N-(disulfanyl)-2-methylpropan-1-amine?
The IUPAC name of N-(disulfanyl)-2-methylpropan-1-amine (CID 134400145) is N-(disulfanyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(disulfanyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(disulfanyl)-2-methylpropan-1-amine is CC(C)CNSS.
What is the InChIKey of N-(disulfanyl)-2-methylpropan-1-amine?
The InChIKey is FGRGASIKRKBORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS2/c1-4(2)3-5-7-6/h4-6H,3H2,1-2H3.
What are the key properties of N-(disulfanyl)-2-methylpropan-1-amine?
N-(disulfanyl)-2-methylpropan-1-amine has a molecular weight of 137.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(disulfanyl)-2-methylpropan-1-amine is sourced from PubChem (CID 134400145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).