N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide

C10H23N3O3S — CID 112624880

IUPACN-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCC(O)C1CCN(S(=O)(=O)N(C)CCCN)C1
InChIInChI=1S/C10H23N3O3S/c1-9(14)10-4-7-13(8-10)17(15,16)12(2)6-3-5-11/h9-10,14H,3-8,11H2,1-2H3
InChIKeyVBRBKLIQWDCMAW-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.79
Rot. Bonds6

About N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide

N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 112624880) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID112624880
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCC(O)C1CCN(S(=O)(=O)N(C)CCCN)C1
InChIInChI=1S/C10H23N3O3S/c1-9(14)10-4-7-13(8-10)17(15,16)12(2)6-3-5-11/h9-10,14H,3-8,11H2,1-2H3
InChIKeyVBRBKLIQWDCMAW-UHFFFAOYSA-N
XLogP-0.79
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 103495211
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid
CID 106835695
N-(3-aminopropyl)-N,3,4,5-tetramethylpiperazine-1-sulfonamide
CID 114545497
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79932436
N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
CID 114238612
N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide
CID 61456581
N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide
CID 62973769
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627601
N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 114414187

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide (CID 112624880) is N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide is CC(O)C1CCN(S(=O)(=O)N(C)CCCN)C1.
What is the InChIKey of N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is VBRBKLIQWDCMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-9(14)10-4-7-13(8-10)17(15,16)12(2)6-3-5-11/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide?
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 112624880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).