N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide

C11H25N3O2S — CID 114135540

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)C(C)CNC)C1
InChIInChI=1S/C11H25N3O2S/c1-4-14-6-5-11(9-14)8-13-17(15,16)10(2)7-12-3/h10-13H,4-9H2,1-3H3
InChIKeyCVQNHCFRVWZVPT-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.14
Rot. Bonds7

About N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide (PubChem CID 114135540) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
PubChem CID114135540
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)C(C)CNC)C1
InChIInChI=1S/C11H25N3O2S/c1-4-14-6-5-11(9-14)8-13-17(15,16)10(2)7-12-3/h10-13H,4-9H2,1-3H3
InChIKeyCVQNHCFRVWZVPT-UHFFFAOYSA-N
XLogP-0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211909
1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
CID 106089112
1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide
CID 106017991
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629745
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 60910513
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 60855885
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 116815189
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131950598
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide (CID 114135540) is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide is CCN1CCC(CNS(=O)(=O)C(C)CNC)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide?
The InChIKey is CVQNHCFRVWZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-4-14-6-5-11(9-14)8-13-17(15,16)10(2)7-12-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 114135540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).