N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide

C15H29N5O2S — CID 99857417

IUPACN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCCN1CCN([C@H](C)CNS(=O)(=O)c2cnc(C(C)C)[nH]2)CC1
InChIInChI=1S/C15H29N5O2S/c1-5-19-6-8-20(9-7-19)13(4)10-17-23(21,22)14-11-16-15(18-14)12(2)3/h11-13,17H,5-10H2,1-4H3,(H,16,18)/t13-/m1/s1
InChIKeyZIEGEZCKCBFCQA-CYBMUJFWSA-N
MW343.50 g/mol
LogP0.84
Rot. Bonds7

About N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide (PubChem CID 99857417) has the molecular formula C15H29N5O2S and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide
PubChem CID99857417
Molecular FormulaC15H29N5O2S
Molecular Weight343.50 g/mol
Exact Mass343.20
IUPAC NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCCN1CCN([C@H](C)CNS(=O)(=O)c2cnc(C(C)C)[nH]2)CC1
InChIInChI=1S/C15H29N5O2S/c1-5-19-6-8-20(9-7-19)13(4)10-17-23(21,22)14-11-16-15(18-14)12(2)3/h11-13,17H,5-10H2,1-4H3,(H,16,18)/t13-/m1/s1
InChIKeyZIEGEZCKCBFCQA-CYBMUJFWSA-N
XLogP0.84
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 99831960
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide
CID 99858304
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858315
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858314
2-propan-2-yl-1H-imidazole-5-sulfonic acid
CID 19864190
N-(2-cyclopropylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 113476004
(2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide
CID 99831954
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylsulfonylaniline
CID 71978131
N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 54903887
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide (CID 99857417) is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide is CCN1CCN([C@H](C)CNS(=O)(=O)c2cnc(C(C)C)[nH]2)CC1.
What is the InChIKey of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The InChIKey is ZIEGEZCKCBFCQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29N5O2S/c1-5-19-6-8-20(9-7-19)13(4)10-17-23(21,22)14-11-16-15(18-14)12(2)3/h11-13,17H,5-10H2,1-4H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide?
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide has a molecular weight of 343.50 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 99857417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).