3-(dimethylamino)propyl N-methylsulfamate

C6H16N2O3S — CID 141171318

IUPAC3-(dimethylamino)propyl N-methylsulfamate
SMILESCNS(=O)(=O)OCCCN(C)C
InChIInChI=1S/C6H16N2O3S/c1-7-12(9,10)11-6-4-5-8(2)3/h7H,4-6H2,1-3H3
InChIKeyJBAUHIZSMGNHLE-UHFFFAOYSA-N
MW196.27 g/mol
LogP-0.58
Rot. Bonds6

About 3-(dimethylamino)propyl N-methylsulfamate

3-(dimethylamino)propyl N-methylsulfamate (PubChem CID 141171318) has the molecular formula C6H16N2O3S and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-(dimethylamino)propyl N-methylsulfamate.

Molecular Properties

Compound Name3-(dimethylamino)propyl N-methylsulfamate
PubChem CID141171318
Molecular FormulaC6H16N2O3S
Molecular Weight196.27 g/mol
Exact Mass196.09
IUPAC Name3-(dimethylamino)propyl N-methylsulfamate
SMILESCNS(=O)(=O)OCCCN(C)C
InChIInChI=1S/C6H16N2O3S/c1-7-12(9,10)11-6-4-5-8(2)3/h7H,4-6H2,1-3H3
InChIKeyJBAUHIZSMGNHLE-UHFFFAOYSA-N
XLogP-0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)propyl decane-1-sulfonate
CID 175505827
2-(dimethylamino)ethyl hydrogen sulfate
CID 12574414
CID 59347745
CID 59347745
[2-[2-[3-(dimethylamino)propoxysulfonyl]ethylamino]-3-formyloxy-2-(formyloxymethyl)propyl] formate
CID 167019302
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980
bis[3-(dimethylamino)propoxy]-oxophosphanium
CID 174251326
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine
CID 90709463
3-(dimethylamino)propyl dimethyl phosphite
CID 129036212
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
6-(dimethylamino)hexyl 4-methylbenzenesulfonate
CID 164710675
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl N-methylsulfamate?
The IUPAC name of 3-(dimethylamino)propyl N-methylsulfamate (CID 141171318) is 3-(dimethylamino)propyl N-methylsulfamate.
What is the SMILES notation for 3-(dimethylamino)propyl N-methylsulfamate?
The canonical SMILES for 3-(dimethylamino)propyl N-methylsulfamate is CNS(=O)(=O)OCCCN(C)C.
What is the InChIKey of 3-(dimethylamino)propyl N-methylsulfamate?
The InChIKey is JBAUHIZSMGNHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3S/c1-7-12(9,10)11-6-4-5-8(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 3-(dimethylamino)propyl N-methylsulfamate?
3-(dimethylamino)propyl N-methylsulfamate has a molecular weight of 196.27 g/mol, XLogP of -0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl N-methylsulfamate is sourced from PubChem (CID 141171318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).