(2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol

C14H26N4O3S — CID 97239556

IUPAC(2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol
SMILESCC[C@@H](CO)N1CCN(S(=O)(=O)c2cnc(C(C)C)[nH]2)CC1
InChIInChI=1S/C14H26N4O3S/c1-4-12(10-19)17-5-7-18(8-6-17)22(20,21)13-9-15-14(16-13)11(2)3/h9,11-12,19H,4-8,10H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyCFYOAXPIVIWFBW-LBPRGKRZSA-N
MW330.45 g/mol
LogP0.61
Rot. Bonds6

About (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol

(2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol (PubChem CID 97239556) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol
PubChem CID97239556
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC Name(2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol
SMILESCC[C@@H](CO)N1CCN(S(=O)(=O)c2cnc(C(C)C)[nH]2)CC1
InChIInChI=1S/C14H26N4O3S/c1-4-12(10-19)17-5-7-18(8-6-17)22(20,21)13-9-15-14(16-13)11(2)3/h9,11-12,19H,4-8,10H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyCFYOAXPIVIWFBW-LBPRGKRZSA-N
XLogP0.61
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol (CID 97239556) is (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol is CC[C@@H](CO)N1CCN(S(=O)(=O)c2cnc(C(C)C)[nH]2)CC1.
What is the InChIKey of (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol?
The InChIKey is CFYOAXPIVIWFBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-4-12(10-19)17-5-7-18(8-6-17)22(20,21)13-9-15-14(16-13)11(2)3/h9,11-12,19H,4-8,10H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol?
(2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol has a molecular weight of 330.45 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 97239556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).