N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide

C9H20N2O4S2 — CID 63245460

IUPACN-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCN)C1CC1
InChIInChI=1S/C9H20N2O4S2/c1-16(12,13)7-8-17(14,15)11(6-2-5-10)9-3-4-9/h9H,2-8,10H2,1H3
InChIKeyXYHAJKSQQOBLDH-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.83
Rot. Bonds8

About N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide

N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide (PubChem CID 63245460) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide
PubChem CID63245460
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCN)C1CC1
InChIInChI=1S/C9H20N2O4S2/c1-16(12,13)7-8-17(14,15)11(6-2-5-10)9-3-4-9/h9H,2-8,10H2,1H3
InChIKeyXYHAJKSQQOBLDH-UHFFFAOYSA-N
XLogP-0.83
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propane-2-sulfonamide
CID 114188384
N-[3-(methylamino)propyl]-N-(3-methylsulfinylpropyl)methanesulfonamide
CID 56993279
CID 58878991
CID 58878991
CID 59175956
CID 59175956
2-(cyclopropylamino)-N-ethylethanesulfonamide
CID 65800940
2-[cyclopropyl(ethyl)amino]-N-methylethanesulfonamide
CID 68371120
2-[cyclopropyl(ethyl)amino]-N-ethylethanesulfonamide
CID 71189077
N-ethyl-N',N'-dipropylbutane-1,4-disulfonamide
CID 91120060
N-[2-[2-methylsulfonylethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481161
3-Amino-1-[3-aminopropyl(2-methylsulfonylethyl)amino]propane-1-sulfonamide
CID 141285516
N-(methyl-methylidene-oxo-lambda6-sulfanyl)propan-2-amine;N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)propan-2-amine;N-propan-2-ylcyclopropanesulfonamide
CID 157937327
N-[3-(4-methylsulfonylbutylamino)propyl]methanesulfonamide
CID 159105857

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide (CID 63245460) is N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)N(CCCN)C1CC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide?
The InChIKey is XYHAJKSQQOBLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-16(12,13)7-8-17(14,15)11(6-2-5-10)9-3-4-9/h9H,2-8,10H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide?
N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 63245460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).