N-[3-(dimethylamino)propyl]methanesulfinamide

C6H16N2OS — CID 145388780

IUPACN-[3-(dimethylamino)propyl]methanesulfinamide
SMILESCN(C)CCCNS(C)=O
InChIInChI=1S/C6H16N2OS/c1-8(2)6-4-5-7-10(3)9/h7H,4-6H2,1-3H3
InChIKeyWJYGIHBVETWCAR-UHFFFAOYSA-N
MW164.27 g/mol
LogP-0.18
Rot. Bonds5

About N-[3-(dimethylamino)propyl]methanesulfinamide

N-[3-(dimethylamino)propyl]methanesulfinamide (PubChem CID 145388780) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]methanesulfinamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]methanesulfinamide
PubChem CID145388780
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC NameN-[3-(dimethylamino)propyl]methanesulfinamide
SMILESCN(C)CCCNS(C)=O
InChIInChI=1S/C6H16N2OS/c1-8(2)6-4-5-7-10(3)9/h7H,4-6H2,1-3H3
InChIKeyWJYGIHBVETWCAR-UHFFFAOYSA-N
XLogP-0.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
Methanesulfonamide, N-[3-(diethylamino)propyl]-
CID 3330231
N-[3-(dimethylamino)propyl]methanesulfonamide
CID 4649199
3-(Methanesulfonamido)propyl-trimethylazanium
CID 18725235
N-[4-(dimethylamino)butyl]methanesulfonamide
CID 21685273
3-(Methanesulfonamido)propyl-trimethylazanium
CID 59024482
N',N'-dimethyl-N-methylsulfanylpropane-1,3-diamine
CID 88958902
N-ethylsulfanyl-N',N'-dimethylpropane-1,3-diamine
CID 88959028
N-[3-[ethyl(methyl)amino]propyl]methanesulfonamide
CID 89628768
N',N'-diethyl-N-methylsulfanylpropane-1,3-diamine
CID 123272375
N-[3-(methylamino)propyl]ethanesulfinamide
CID 126639040

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]methanesulfinamide?
The IUPAC name of N-[3-(dimethylamino)propyl]methanesulfinamide (CID 145388780) is N-[3-(dimethylamino)propyl]methanesulfinamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]methanesulfinamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]methanesulfinamide is CN(C)CCCNS(C)=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]methanesulfinamide?
The InChIKey is WJYGIHBVETWCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS/c1-8(2)6-4-5-7-10(3)9/h7H,4-6H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]methanesulfinamide?
N-[3-(dimethylamino)propyl]methanesulfinamide has a molecular weight of 164.27 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]methanesulfinamide is sourced from PubChem (CID 145388780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).