(1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

C13H25N5O3S — CID 119730790

IUPAC(1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
SMILESCN1CCN(S(=O)(=O)N2CCN(C(=O)C3(N)CC3)CC2)CC1
InChIInChI=1S/C13H25N5O3S/c1-15-4-8-17(9-5-15)22(20,21)18-10-6-16(7-11-18)12(19)13(14)2-3-13/h2-11,14H2,1H3
InChIKeyBKVAWFOTLHEPOE-UHFFFAOYSA-N
MW331.44 g/mol
LogP-1.89
Rot. Bonds3

About (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

(1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 119730790) has the molecular formula C13H25N5O3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID119730790
Molecular FormulaC13H25N5O3S
Molecular Weight331.44 g/mol
Exact Mass331.17
IUPAC Name(1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
SMILESCN1CCN(S(=O)(=O)N2CCN(C(=O)C3(N)CC3)CC2)CC1
InChIInChI=1S/C13H25N5O3S/c1-15-4-8-17(9-5-15)22(20,21)18-10-6-16(7-11-18)12(19)13(14)2-3-13/h2-11,14H2,1H3
InChIKeyBKVAWFOTLHEPOE-UHFFFAOYSA-N
XLogP-1.89
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-1.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560567
[1-(3-bromophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55652942
1-[4-(1-aminocyclopropanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 65465983
1-(1-aminocyclopropanecarbonyl)piperidine-4-carboxamide
CID 65466552
(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
CID 119265347
1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
CID 136534343
4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 119292583
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
(1-aminocyclopropyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65466413
(3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol
CID 86283113
2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
CID 119134673
(1-aminocyclopentyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119265754

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone (CID 119730790) is (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone is CN1CCN(S(=O)(=O)N2CCN(C(=O)C3(N)CC3)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is BKVAWFOTLHEPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3S/c1-15-4-8-17(9-5-15)22(20,21)18-10-6-16(7-11-18)12(19)13(14)2-3-13/h2-11,14H2,1H3.
What are the key properties of (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone?
(1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 331.44 g/mol, XLogP of -1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 119730790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).