N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide

C10H23N3O2S — CID 43136959

IUPACN-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H23N3O2S/c1-10(2)13(9-5-6-11)16(14,15)12-7-3-4-8-12/h10H,3-9,11H2,1-2H3
InChIKeyFBAPCBLEIFCYBU-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.39
Rot. Bonds6

About N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide

N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 43136959) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID43136959
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H23N3O2S/c1-10(2)13(9-5-6-11)16(14,15)12-7-3-4-8-12/h10H,3-9,11H2,1-2H3
InChIKeyFBAPCBLEIFCYBU-UHFFFAOYSA-N
XLogP0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 43136957
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998000
N-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-sulfonamide
CID 43136983
N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 103495211
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 61348368
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
CID 61455645
N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide
CID 43318687
N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide
CID 43318689
N-(3-aminopropyl)-N-methyl-8-azaspiro[4.5]decane-8-sulfonamide
CID 63159100
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79156152
N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
CID 115317691

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 43136959) is N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)N(CCCN)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is FBAPCBLEIFCYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-10(2)13(9-5-6-11)16(14,15)12-7-3-4-8-12/h10H,3-9,11H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 43136959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).