4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine

C18H37N3O2S — CID 142336137

IUPAC4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine
SMILESCC1CN(C(C)(C)C)CCN1S(=O)(=O)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C18H37N3O2S/c1-15-13-20(18(5,6)7)11-12-21(15)24(22,23)16-9-8-10-19(14-16)17(2,3)4/h15-16H,8-14H2,1-7H3
InChIKeySNDJIMDVPPNOSG-UHFFFAOYSA-N
MW359.58 g/mol
LogP2.38
Rot. Bonds2

About 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine

4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine (PubChem CID 142336137) has the molecular formula C18H37N3O2S and a molecular weight of 359.58 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine
PubChem CID142336137
Molecular FormulaC18H37N3O2S
Molecular Weight359.58 g/mol
Exact Mass359.26
IUPAC Name4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine
SMILESCC1CN(C(C)(C)C)CCN1S(=O)(=O)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C18H37N3O2S/c1-15-13-20(18(5,6)7)11-12-21(15)24(22,23)16-9-8-10-19(14-16)17(2,3)4/h15-16H,8-14H2,1-7H3
InChIKeySNDJIMDVPPNOSG-UHFFFAOYSA-N
XLogP2.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-methylsulfonylpiperidine
CID 59640673
1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine
CID 153452685
1,4-ditert-butyl-2-methylpiperazine
CID 58993903
1-tert-butyl-3-isocyanopiperidine
CID 84765134
[(3S)-1-tert-butylpiperidin-3-yl]methyl methanesulfonate
CID 164945767
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
1,3-ditert-butylpiperidine;methane
CID 157116364
4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine
CID 176629966
1-tert-butylpiperidine-3-carboxamide
CID 59656300
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
1-tert-butyl-3-(2-iodopropan-2-yl)piperidine
CID 170043848
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine?
The IUPAC name of 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine (CID 142336137) is 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine?
The canonical SMILES for 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine is CC1CN(C(C)(C)C)CCN1S(=O)(=O)C1CCCN(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine?
The InChIKey is SNDJIMDVPPNOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2S/c1-15-13-20(18(5,6)7)11-12-21(15)24(22,23)16-9-8-10-19(14-16)17(2,3)4/h15-16H,8-14H2,1-7H3.
What are the key properties of 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine?
4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine has a molecular weight of 359.58 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 142336137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).