(2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone

C9H17N3O3S — CID 82235812

IUPAC(2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)C2CC2N)CC1
InChIInChI=1S/C9H17N3O3S/c1-16(14,15)12-4-2-11(3-5-12)9(13)7-6-8(7)10/h7-8H,2-6,10H2,1H3
InChIKeyPNYBYPINJPJNKR-UHFFFAOYSA-N
MW247.32 g/mol
LogP-1.56
Rot. Bonds2

About (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 82235812) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID82235812
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name(2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)C2CC2N)CC1
InChIInChI=1S/C9H17N3O3S/c1-16(14,15)12-4-2-11(3-5-12)9(13)7-6-8(7)10/h7-8H,2-6,10H2,1H3
InChIKeyPNYBYPINJPJNKR-UHFFFAOYSA-N
XLogP-1.56
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminocyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 82234715
(2-amino-3-methylcyclohexyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 62994328
2-(4-methylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 60953415
cis-(1R,2S)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119641
trans-(1R,2R)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119643
2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62994159
4-methylsulfonylpiperazine-1-carbothioamide
CID 59945711
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 103577107
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanone
CID 124890709
(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 113220293
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 82235812) is (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)C2CC2N)CC1.
What is the InChIKey of (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is PNYBYPINJPJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-16(14,15)12-4-2-11(3-5-12)9(13)7-6-8(7)10/h7-8H,2-6,10H2,1H3.
What are the key properties of (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 247.32 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 82235812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).