N-(2-methylpropoxysulfamoyl)propan-1-amine

C7H18N2O3S — CID 114807196

IUPACN-(2-methylpropoxysulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NOCC(C)C
InChIInChI=1S/C7H18N2O3S/c1-4-5-8-13(10,11)9-12-6-7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyGRZDFKHWJHLGAI-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.41
Rot. Bonds7

About N-(2-methylpropoxysulfamoyl)propan-1-amine

N-(2-methylpropoxysulfamoyl)propan-1-amine (PubChem CID 114807196) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(2-methylpropoxysulfamoyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropoxysulfamoyl)propan-1-amine
PubChem CID114807196
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC NameN-(2-methylpropoxysulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NOCC(C)C
InChIInChI=1S/C7H18N2O3S/c1-4-5-8-13(10,11)9-12-6-7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyGRZDFKHWJHLGAI-UHFFFAOYSA-N
XLogP0.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
CID 114814912
N-(ethoxysulfamoyl)-2-methylpropan-1-amine
CID 114814909
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
N-(2-methoxyethoxysulfamoyl)-2-methylpropan-1-amine
CID 114814915
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
N-(ethoxysulfamoyl)ethanamine
CID 114807184
2-methoxy-3-(propylsulfamoylamino)propanoic acid
CID 106108270
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
N-(2-methylpropoxy)pyrrolidine-1-sulfonamide
CID 82715800
N-propyl-1-sulfanylethanesulfonamide
CID 126694662
N-propylbutane-2-sulfonamide
CID 57021990
2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxysulfamoyl)propan-1-amine?
The IUPAC name of N-(2-methylpropoxysulfamoyl)propan-1-amine (CID 114807196) is N-(2-methylpropoxysulfamoyl)propan-1-amine.
What is the SMILES notation for N-(2-methylpropoxysulfamoyl)propan-1-amine?
The canonical SMILES for N-(2-methylpropoxysulfamoyl)propan-1-amine is CCCNS(=O)(=O)NOCC(C)C.
What is the InChIKey of N-(2-methylpropoxysulfamoyl)propan-1-amine?
The InChIKey is GRZDFKHWJHLGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-4-5-8-13(10,11)9-12-6-7(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(2-methylpropoxysulfamoyl)propan-1-amine?
N-(2-methylpropoxysulfamoyl)propan-1-amine has a molecular weight of 210.30 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxysulfamoyl)propan-1-amine is sourced from PubChem (CID 114807196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).