N,N-dibutyl-3H-dithiol-3-amine

C11H21NS2 — CID 88510418

IUPACN,N-dibutyl-3H-dithiol-3-amine
SMILESCCCCN(CCCC)C1C=CSS1
InChIInChI=1S/C11H21NS2/c1-3-5-8-12(9-6-4-2)11-7-10-13-14-11/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyDQYVMHYMVWHCJO-UHFFFAOYSA-N
MW231.43 g/mol
LogP4.12
Rot. Bonds7

About N,N-dibutyl-3H-dithiol-3-amine

N,N-dibutyl-3H-dithiol-3-amine (PubChem CID 88510418) has the molecular formula C11H21NS2 and a molecular weight of 231.43 g/mol. Its IUPAC name is N,N-dibutyl-3H-dithiol-3-amine.

Molecular Properties

Compound NameN,N-dibutyl-3H-dithiol-3-amine
PubChem CID88510418
Molecular FormulaC11H21NS2
Molecular Weight231.43 g/mol
Exact Mass231.11
IUPAC NameN,N-dibutyl-3H-dithiol-3-amine
SMILESCCCCN(CCCC)C1C=CSS1
InChIInChI=1S/C11H21NS2/c1-3-5-8-12(9-6-4-2)11-7-10-13-14-11/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyDQYVMHYMVWHCJO-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-ylsulfanyl N,N-bis(prop-2-enyl)carbamodithioate
CID 19838568
3-[Bis(prop-2-enyl)amino]propane-1-thiol
CID 88127589
4-[Bis(prop-2-enyl)amino]butane-1-thiol
CID 88316902
2-butyl-3H-1,2-thiazole
CID 141021462
1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine
CID 156519991
1-[Pentyl(prop-2-enyl)amino]prop-2-ene-1-thiol
CID 173113955
3H-dithiole;nickel(2+);tetraethylazanium
CID 175766341
2-(Hexylprop-2-enylamino)ethane-1-thiol
CID 33780688
N,N-diethyl-3-methylsulfanylprop-2-en-1-amine
CID 57350098
4-[Butan-2-yl(butyl)amino]but-2-ene-1-thiol
CID 80017128
4-(Dipropylamino)but-2-ene-1-thiol
CID 80017801
4-[Butyl(ethyl)amino]but-2-ene-1-thiol
CID 80017956

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3H-dithiol-3-amine?
The IUPAC name of N,N-dibutyl-3H-dithiol-3-amine (CID 88510418) is N,N-dibutyl-3H-dithiol-3-amine.
What is the SMILES notation for N,N-dibutyl-3H-dithiol-3-amine?
The canonical SMILES for N,N-dibutyl-3H-dithiol-3-amine is CCCCN(CCCC)C1C=CSS1.
What is the InChIKey of N,N-dibutyl-3H-dithiol-3-amine?
The InChIKey is DQYVMHYMVWHCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS2/c1-3-5-8-12(9-6-4-2)11-7-10-13-14-11/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of N,N-dibutyl-3H-dithiol-3-amine?
N,N-dibutyl-3H-dithiol-3-amine has a molecular weight of 231.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3H-dithiol-3-amine is sourced from PubChem (CID 88510418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).