4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide

C12H26N4O4S2 — CID 6484310

IUPAC4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C12H26N4O4S2/c1-13(2)21(17,18)15-9-11-16(12-10-15)22(19,20)14-7-5-3-4-6-8-14/h3-12H2,1-2H3
InChIKeyNMGHOWIFNIUTDZ-UHFFFAOYSA-N
MW354.50 g/mol
LogP-0.47
Rot. Bonds4

About 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 6484310) has the molecular formula C12H26N4O4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID6484310
Molecular FormulaC12H26N4O4S2
Molecular Weight354.50 g/mol
Exact Mass354.14
IUPAC Name4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C12H26N4O4S2/c1-13(2)21(17,18)15-9-11-16(12-10-15)22(19,20)14-7-5-3-4-6-8-14/h3-12H2,1-2H3
InChIKeyNMGHOWIFNIUTDZ-UHFFFAOYSA-N
XLogP-0.47
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 6484310) is 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is NMGHOWIFNIUTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O4S2/c1-13(2)21(17,18)15-9-11-16(12-10-15)22(19,20)14-7-5-3-4-6-8-14/h3-12H2,1-2H3.
What are the key properties of 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of -0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 6484310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).