3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide

C10H22N2O3S — CID 112698309

IUPAC3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide
SMILESCN(CCCS(N)(=O)=O)CCOCC1CC1
InChIInChI=1S/C10H22N2O3S/c1-12(5-2-8-16(11,13)14)6-7-15-9-10-3-4-10/h10H,2-9H2,1H3,(H2,11,13,14)
InChIKeyJAUYOYVFFOLXCH-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.02
Rot. Bonds9

About 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide

3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide (PubChem CID 112698309) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide
PubChem CID112698309
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide
SMILESCN(CCCS(N)(=O)=O)CCOCC1CC1
InChIInChI=1S/C10H22N2O3S/c1-12(5-2-8-16(11,13)14)6-7-15-9-10-3-4-10/h10H,2-9H2,1H3,(H2,11,13,14)
InChIKeyJAUYOYVFFOLXCH-UHFFFAOYSA-N
XLogP0.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.02
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

6-(cyclopentylmethoxy)hexane-1-sulfonamide
CID 66322939
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine
CID 115873242
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
CID 106803889
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711430
methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432
1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone
CID 104750980
ethyl 4-[2-(cyclopropylmethoxy)ethyl-methylamino]-3-hydroxybutanoate
CID 82769393
[4-[3-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]propanoyloxymethyl]cyclohexyl]methyl butanoate
CID 118296600
3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide
CID 112698301
1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505898
2-amino-5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 106491934
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide?
The IUPAC name of 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide (CID 112698309) is 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide is CN(CCCS(N)(=O)=O)CCOCC1CC1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide?
The InChIKey is JAUYOYVFFOLXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-12(5-2-8-16(11,13)14)6-7-15-9-10-3-4-10/h10H,2-9H2,1H3,(H2,11,13,14).
What are the key properties of 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide?
3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide is sourced from PubChem (CID 112698309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).