4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide

C11H25N3O2S — CID 54952147

IUPAC4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)CCCCN)C1
InChIInChI=1S/C11H25N3O2S/c1-2-14-7-5-11(10-14)9-13-17(15,16)8-4-3-6-12/h11,13H,2-10,12H2,1H3
InChIKeyYMWPZHMZQGSEEJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.01
Rot. Bonds8

About 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide

4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide (PubChem CID 54952147) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
PubChem CID54952147
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)CCCCN)C1
InChIInChI=1S/C11H25N3O2S/c1-2-14-7-5-11(10-14)9-13-17(15,16)8-4-3-6-12/h11,13H,2-10,12H2,1H3
InChIKeyYMWPZHMZQGSEEJ-UHFFFAOYSA-N
XLogP-0.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 68902073
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
CID 91922807
Pyrrolidin-3-yl-methanesulfonic acid
CID 125605
(1-(Methylsulfonyl)pyrrolidin-3-yl)methanamine
CID 62062682
(1-Methanesulfonylpyrrolidin-3-yl)methanamine hydrochloride
CID 71757122
4-(Trifluoromethyl)pyrrolidine-3-sulfonic acid diethylamide
CID 129876827
N-{[(3R,4S)-4-amino-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]methyl}-N,N-dimethylamine
CID 90488126
N,1-dimethylpyrrolidine-3-sulfonamide
CID 129125136
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 97574702
N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine
CID 99922163
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N,N-dimethylpropane-1-sulfonamide
CID 121555231
N-(fluoromethyl)-2-(1-propylpyrrolidin-1-ium-1-yl)ethanesulfonamide
CID 157046028

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide (CID 54952147) is 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide is CCN1CCC(CNS(=O)(=O)CCCCN)C1.
What is the InChIKey of 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide?
The InChIKey is YMWPZHMZQGSEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-2-14-7-5-11(10-14)9-13-17(15,16)8-4-3-6-12/h11,13H,2-10,12H2,1H3.
What are the key properties of 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide?
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 54952147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).