3-amino-N-(2-methoxypropyl)propane-1-sulfonamide

C7H18N2O3S — CID 102697740

IUPAC3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
SMILESCOC(C)CNS(=O)(=O)CCCN
InChIInChI=1S/C7H18N2O3S/c1-7(12-2)6-9-13(10,11)5-3-4-8/h7,9H,3-6,8H2,1-2H3
InChIKeyOOOZZAJIVRQCMN-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.71
Rot. Bonds7

About 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide

3-amino-N-(2-methoxypropyl)propane-1-sulfonamide (PubChem CID 102697740) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
PubChem CID102697740
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
SMILESCOC(C)CNS(=O)(=O)CCCN
InChIInChI=1S/C7H18N2O3S/c1-7(12-2)6-9-13(10,11)5-3-4-8/h7,9H,3-6,8H2,1-2H3
InChIKeyOOOZZAJIVRQCMN-UHFFFAOYSA-N
XLogP-0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
3-amino-N-(2-methylbutyl)propane-1-sulfonamide
CID 62694759
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663
2-(2-methoxypropylsulfamoyl)ethanethioamide
CID 102698254
3-amino-N-(1-methoxypropan-2-yl)propane-1-sulfonamide
CID 60910222
3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 104759977
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
CID 63856064
1-amino-N-(2-methoxypropyl)butane-2-sulfonamide
CID 102697729
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide
CID 61456565
3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
CID 60909819

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide (CID 102697740) is 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide is COC(C)CNS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide?
The InChIKey is OOOZZAJIVRQCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-7(12-2)6-9-13(10,11)5-3-4-8/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide?
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide has a molecular weight of 210.30 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxypropyl)propane-1-sulfonamide is sourced from PubChem (CID 102697740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).