N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide

C19H34N6O3S — CID 52675624

IUPACN-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCN1CCN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCCCCC3)CC2)CC1
InChIInChI=1S/C19H34N6O3S/c1-22-8-12-24(13-9-22)29(27,28)25-14-10-23(11-15-25)16-18(26)21-19(17-20)6-4-2-3-5-7-19/h2-16H2,1H3,(H,21,26)
InChIKeyNMTRMKHAHKUFHA-UHFFFAOYSA-N
MW426.59 g/mol
LogP-0.17
Rot. Bonds5

About N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide

N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 52675624) has the molecular formula C19H34N6O3S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID52675624
Molecular FormulaC19H34N6O3S
Molecular Weight426.59 g/mol
Exact Mass426.24
IUPAC NameN-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCN1CCN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCCCCC3)CC2)CC1
InChIInChI=1S/C19H34N6O3S/c1-22-8-12-24(13-9-22)29(27,28)25-14-10-23(11-15-25)16-18(26)21-19(17-20)6-4-2-3-5-7-19/h2-16H2,1H3,(H,21,26)
InChIKeyNMTRMKHAHKUFHA-UHFFFAOYSA-N
XLogP-0.17
TPSA99.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide (CID 52675624) is N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide is CN1CCN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCCCCC3)CC2)CC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is NMTRMKHAHKUFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O3S/c1-22-8-12-24(13-9-22)29(27,28)25-14-10-23(11-15-25)16-18(26)21-19(17-20)6-4-2-3-5-7-19/h2-16H2,1H3,(H,21,26).
What are the key properties of N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide?
N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 426.59 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 52675624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).