1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine

C18H30N4O3S — CID 45207185

IUPAC1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCO2)CC1
InChIInChI=1S/C18H30N4O3S/c1-20-6-8-21(9-7-20)12-16-11-19-18(26(23,24)14-15-4-5-15)22(16)13-17-3-2-10-25-17/h11,15,17H,2-10,12-14H2,1H3
InChIKeyMUYVHBDTYIBOAG-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.99
Rot. Bonds7

About 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine

1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine (PubChem CID 45207185) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine
PubChem CID45207185
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCO2)CC1
InChIInChI=1S/C18H30N4O3S/c1-20-6-8-21(9-7-20)12-16-11-19-18(26(23,24)14-15-4-5-15)22(16)13-17-3-2-10-25-17/h11,15,17H,2-10,12-14H2,1H3
InChIKeyMUYVHBDTYIBOAG-UHFFFAOYSA-N
XLogP0.99
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine (CID 45207185) is 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine is CN1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCO2)CC1.
What is the InChIKey of 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine?
The InChIKey is MUYVHBDTYIBOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-20-6-8-21(9-7-20)12-16-11-19-18(26(23,24)14-15-4-5-15)22(16)13-17-3-2-10-25-17/h11,15,17H,2-10,12-14H2,1H3.
What are the key properties of 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine?
1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine has a molecular weight of 382.53 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 45207185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).