N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide

C18H29N5O2S — CID 127302660

IUPACN-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C18H29N5O2S/c1-21(16-5-3-2-4-6-16)26(24,25)23-13-11-22(12-14-23)17-9-10-19-18(20-17)15-7-8-15/h9-10,15-16H,2-8,11-14H2,1H3
InChIKeyMZTGGXAHNMEAJJ-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.99
Rot. Bonds5

About N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide

N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide (PubChem CID 127302660) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide
PubChem CID127302660
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC NameN-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C18H29N5O2S/c1-21(16-5-3-2-4-6-16)26(24,25)23-13-11-22(12-14-23)17-9-10-19-18(20-17)15-7-8-15/h9-10,15-16H,2-8,11-14H2,1H3
InChIKeyMZTGGXAHNMEAJJ-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide (CID 127302660) is N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(c2ccnc(C3CC3)n2)CC1.
What is the InChIKey of N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is MZTGGXAHNMEAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-21(16-5-3-2-4-6-16)26(24,25)23-13-11-22(12-14-23)17-9-10-19-18(20-17)15-7-8-15/h9-10,15-16H,2-8,11-14H2,1H3.
What are the key properties of N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide?
N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 379.53 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 127302660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).