N-propyl-N-(sulfinylamino)propan-1-amine

C6H14N2OS — CID 23278313

IUPACN-propyl-N-(sulfinylamino)propan-1-amine
SMILESCCCN(CCC)N=S=O
InChIInChI=1S/C6H14N2OS/c1-3-5-8(6-4-2)7-10-9/h3-6H2,1-2H3
InChIKeyZOQCMMARCLFFTM-UHFFFAOYSA-N
MW162.26 g/mol
LogP1.42
Rot. Bonds5

About N-propyl-N-(sulfinylamino)propan-1-amine

N-propyl-N-(sulfinylamino)propan-1-amine (PubChem CID 23278313) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is N-propyl-N-(sulfinylamino)propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-(sulfinylamino)propan-1-amine
PubChem CID23278313
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC NameN-propyl-N-(sulfinylamino)propan-1-amine
SMILESCCCN(CCC)N=S=O
InChIInChI=1S/C6H14N2OS/c1-3-5-8(6-4-2)7-10-9/h3-6H2,1-2H3
InChIKeyZOQCMMARCLFFTM-UHFFFAOYSA-N
XLogP1.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide
CID 140609588
N-bis(dipropylamino)arsanyl-N-propylpropan-1-amine
CID 86219223
1-[amino(sulfamoyl)amino]propane
CID 90113026
S-[methyl(propyl)amino] methanethioate
CID 54385630
N,N-dipropylpropan-1-amine;propane
CID 174574210
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
N-dimethylphosphoryl-N-propylpropan-1-amine
CID 154336648
(dipropylamino)-oxosulfanium
CID 172751080
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
N,N-diethylethanamine;sulfur dioxide
CID 12824984

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(sulfinylamino)propan-1-amine?
The IUPAC name of N-propyl-N-(sulfinylamino)propan-1-amine (CID 23278313) is N-propyl-N-(sulfinylamino)propan-1-amine.
What is the SMILES notation for N-propyl-N-(sulfinylamino)propan-1-amine?
The canonical SMILES for N-propyl-N-(sulfinylamino)propan-1-amine is CCCN(CCC)N=S=O.
What is the InChIKey of N-propyl-N-(sulfinylamino)propan-1-amine?
The InChIKey is ZOQCMMARCLFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-3-5-8(6-4-2)7-10-9/h3-6H2,1-2H3.
What are the key properties of N-propyl-N-(sulfinylamino)propan-1-amine?
N-propyl-N-(sulfinylamino)propan-1-amine has a molecular weight of 162.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(sulfinylamino)propan-1-amine is sourced from PubChem (CID 23278313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).