1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide

C11H23N3O2S — CID 106052302

IUPAC1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NC1CCN(C)C1
InChIInChI=1S/C11H23N3O2S/c1-9(7-12-10-3-4-10)17(15,16)13-11-5-6-14(2)8-11/h9-13H,3-8H2,1-2H3
InChIKeyMYCNFBIOYYHXLU-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.25
Rot. Bonds6

About 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide (PubChem CID 106052302) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
PubChem CID106052302
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NC1CCN(C)C1
InChIInChI=1S/C11H23N3O2S/c1-9(7-12-10-3-4-10)17(15,16)13-11-5-6-14(2)8-11/h9-13H,3-8H2,1-2H3
InChIKeyMYCNFBIOYYHXLU-UHFFFAOYSA-N
XLogP-0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106017805
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
CID 106065916
1-(cyclopropylamino)-N-(1-cyclopropylpropan-2-yl)propane-2-sulfonamide
CID 106065688
1-(cyclopropylamino)-N-piperidin-1-ylpropane-2-sulfonamide
CID 106075218
1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide
CID 106079574
1-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]propane-2-sulfonamide
CID 106074303
N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine
CID 107757830
3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
CID 115250234
N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252723
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
CID 79925459

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide (CID 106052302) is 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)NC1CCN(C)C1.
What is the InChIKey of 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide?
The InChIKey is MYCNFBIOYYHXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-9(7-12-10-3-4-10)17(15,16)13-11-5-6-14(2)8-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 106052302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).