N-(disulfanyl)-3,3-dimethylbutan-2-amine

C6H15NS2 — CID 130400667

IUPACN-(disulfanyl)-3,3-dimethylbutan-2-amine
SMILESCC(NSS)C(C)(C)C
InChIInChI=1S/C6H15NS2/c1-5(7-9-8)6(2,3)4/h5,7-8H,1-4H3
InChIKeyDMXNXVRJPJKPTP-UHFFFAOYSA-N
MW165.33 g/mol
LogP2.50
Rot. Bonds2

About N-(disulfanyl)-3,3-dimethylbutan-2-amine

N-(disulfanyl)-3,3-dimethylbutan-2-amine (PubChem CID 130400667) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is N-(disulfanyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(disulfanyl)-3,3-dimethylbutan-2-amine
PubChem CID130400667
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC NameN-(disulfanyl)-3,3-dimethylbutan-2-amine
SMILESCC(NSS)C(C)(C)C
InChIInChI=1S/C6H15NS2/c1-5(7-9-8)6(2,3)4/h5,7-8H,1-4H3
InChIKeyDMXNXVRJPJKPTP-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of N-(disulfanyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(disulfanyl)-3,3-dimethylbutan-2-amine (CID 130400667) is N-(disulfanyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(disulfanyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(disulfanyl)-3,3-dimethylbutan-2-amine is CC(NSS)C(C)(C)C.
What is the InChIKey of N-(disulfanyl)-3,3-dimethylbutan-2-amine?
The InChIKey is DMXNXVRJPJKPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-5(7-9-8)6(2,3)4/h5,7-8H,1-4H3.
What are the key properties of N-(disulfanyl)-3,3-dimethylbutan-2-amine?
N-(disulfanyl)-3,3-dimethylbutan-2-amine has a molecular weight of 165.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(disulfanyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 130400667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).