N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine

C5H15N3S3 — CID 141278447

IUPACN,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine
SMILESCNN(NC)C(C)CSSS
InChIInChI=1S/C5H15N3S3/c1-5(4-10-11-9)8(6-2)7-3/h5-7,9H,4H2,1-3H3
InChIKeyRQOUQWXMCFRNNJ-UHFFFAOYSA-N
MW213.40 g/mol
LogP1.17
Rot. Bonds6

About N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine

N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine (PubChem CID 141278447) has the molecular formula C5H15N3S3 and a molecular weight of 213.40 g/mol. Its IUPAC name is N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine.

Molecular Properties

Compound NameN,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine
PubChem CID141278447
Molecular FormulaC5H15N3S3
Molecular Weight213.40 g/mol
Exact Mass213.04
IUPAC NameN,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine
SMILESCNN(NC)C(C)CSSS
InChIInChI=1S/C5H15N3S3/c1-5(4-10-11-9)8(6-2)7-3/h5-7,9H,4H2,1-3H3
InChIKeyRQOUQWXMCFRNNJ-UHFFFAOYSA-N
XLogP1.17
TPSA27.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.40
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-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,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine?
The IUPAC name of N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine (CID 141278447) is N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine.
What is the SMILES notation for N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine?
The canonical SMILES for N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine is CNN(NC)C(C)CSSS.
What is the InChIKey of N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine?
The InChIKey is RQOUQWXMCFRNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3S3/c1-5(4-10-11-9)8(6-2)7-3/h5-7,9H,4H2,1-3H3.
What are the key properties of N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine?
N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine has a molecular weight of 213.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylamino)-1-(trisulfanyl)propan-2-amine is sourced from PubChem (CID 141278447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).