(3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide

C12H26N4O3S — CID 124975025

IUPAC(3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCN1CCN(C[C@]2(O)CCN(S(=O)(=O)N(C)C)C2)CC1
InChIInChI=1S/C12H26N4O3S/c1-13(2)20(18,19)16-5-4-12(17,11-16)10-15-8-6-14(3)7-9-15/h17H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyKUYLLNIFFZLAHE-GFCCVEGCSA-N
MW306.43 g/mol
LogP-1.52
Rot. Bonds4

About (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide

(3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 124975025) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID124975025
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC Name(3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCN1CCN(C[C@]2(O)CCN(S(=O)(=O)N(C)C)C2)CC1
InChIInChI=1S/C12H26N4O3S/c1-13(2)20(18,19)16-5-4-12(17,11-16)10-15-8-6-14(3)7-9-15/h17H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyKUYLLNIFFZLAHE-GFCCVEGCSA-N
XLogP-1.52
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
CID 175652197
1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 110097934
3-[(4,4-difluoropiperidin-1-yl)methyl]-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
CID 110097929
4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 39354945
(3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
CID 124946623
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
[2-(dimethylamino)pyrimidin-5-yl]-[(3S)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 124976429
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
CID 124978908
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-ethylsulfonylpyrrolidin-3-ol
CID 124964703
(1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 110259193
(4-fluorophenyl)-[(3R)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 125003041

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide (CID 124975025) is (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide is CN1CCN(C[C@]2(O)CCN(S(=O)(=O)N(C)C)C2)CC1.
What is the InChIKey of (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is KUYLLNIFFZLAHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-13(2)20(18,19)16-5-4-12(17,11-16)10-15-8-6-14(3)7-9-15/h17H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide?
(3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of -1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 124975025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).