N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide

C14H24N4O2S — CID 61252712

IUPACN-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C14H24N4O2S/c1-17(2)14(13-6-4-3-5-7-13)12-16-21(19,20)18-10-8-15-9-11-18/h3-7,14-16H,8-12H2,1-2H3
InChIKeyDNXAOKOKCPPLHF-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.03
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide

N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide (PubChem CID 61252712) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide
PubChem CID61252712
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C14H24N4O2S/c1-17(2)14(13-6-4-3-5-7-13)12-16-21(19,20)18-10-8-15-9-11-18/h3-7,14-16H,8-12H2,1-2H3
InChIKeyDNXAOKOKCPPLHF-UHFFFAOYSA-N
XLogP0.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide
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CID 110620930
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide
CID 94018205
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CID 110301928
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-sulfonamide
CID 47149015
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide
CID 28775779
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide (CID 61252712) is N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide is CN(C)C(CNS(=O)(=O)N1CCNCC1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide?
The InChIKey is DNXAOKOKCPPLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-17(2)14(13-6-4-3-5-7-13)12-16-21(19,20)18-10-8-15-9-11-18/h3-7,14-16H,8-12H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide?
N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61252712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).