N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide

C12H26N4O2S — CID 83121463

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide
SMILESCN(C)C1(CNS(=O)(=O)N2CCNCC2)CCCC1
InChIInChI=1S/C12H26N4O2S/c1-15(2)12(5-3-4-6-12)11-14-19(17,18)16-9-7-13-8-10-16/h13-14H,3-11H2,1-2H3
InChIKeyMKRSZZLPVHXWTA-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.40
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide

N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide (PubChem CID 83121463) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide
PubChem CID83121463
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide
SMILESCN(C)C1(CNS(=O)(=O)N2CCNCC2)CCCC1
InChIInChI=1S/C12H26N4O2S/c1-15(2)12(5-3-4-6-12)11-14-19(17,18)16-9-7-13-8-10-16/h13-14H,3-11H2,1-2H3
InChIKeyMKRSZZLPVHXWTA-UHFFFAOYSA-N
XLogP-0.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide (CID 83121463) is N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide is CN(C)C1(CNS(=O)(=O)N2CCNCC2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide?
The InChIKey is MKRSZZLPVHXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-15(2)12(5-3-4-6-12)11-14-19(17,18)16-9-7-13-8-10-16/h13-14H,3-11H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 83121463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).