6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine

C19H37N3O3S2 — CID 166020077

IUPAC6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine
SMILESCC(C)OC1NCC(NCC2CCCS2)NC1C1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C19H37N3O3S2/c1-13(2)25-19-18(14-6-8-16(9-7-14)27(3,23)24)22-17(12-21-19)20-11-15-5-4-10-26-15/h13-22H,4-12H2,1-3H3
InChIKeyPZGQWBMBFMQTKD-UHFFFAOYSA-N
MW419.66 g/mol
LogP1.71
Rot. Bonds7

About 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine

6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine (PubChem CID 166020077) has the molecular formula C19H37N3O3S2 and a molecular weight of 419.66 g/mol. Its IUPAC name is 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine
PubChem CID166020077
Molecular FormulaC19H37N3O3S2
Molecular Weight419.66 g/mol
Exact Mass419.23
IUPAC Name6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine
SMILESCC(C)OC1NCC(NCC2CCCS2)NC1C1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C19H37N3O3S2/c1-13(2)25-19-18(14-6-8-16(9-7-14)27(3,23)24)22-17(12-21-19)20-11-15-5-4-10-26-15/h13-22H,4-12H2,1-3H3
InChIKeyPZGQWBMBFMQTKD-UHFFFAOYSA-N
XLogP1.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.66
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine with MolForge

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Related Compounds

5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(1,2-thiazolidin-5-ylmethyl)piperazin-2-amine
CID 156650524
6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine
CID 156650484
5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine
CID 156650236
3-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)cyclohexan-1-amine
CID 166020085
5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine
CID 156650260
6-(4-methylsulfonylcyclohexyl)-1-(thiolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
CID 166020060
5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethyl)-1,2,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridine
CID 166020190
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
CID 106071625
4-propan-2-yl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
CID 80585023
6-(2-methoxy-4-methylsulfonylphenyl)-4-methyl-N-(thiolan-2-ylmethyl)-1,2,3,6-tetrahydropyrazin-4-ium-2-amine
CID 156650314
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262
3-chloro-N-(thiolan-2-ylmethyl)propane-1-sulfonamide
CID 80586248

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine?
The IUPAC name of 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine (CID 166020077) is 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine.
What is the SMILES notation for 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine?
The canonical SMILES for 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine is CC(C)OC1NCC(NCC2CCCS2)NC1C1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine?
The InChIKey is PZGQWBMBFMQTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3S2/c1-13(2)25-19-18(14-6-8-16(9-7-14)27(3,23)24)22-17(12-21-19)20-11-15-5-4-10-26-15/h13-22H,4-12H2,1-3H3.
What are the key properties of 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine?
6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine has a molecular weight of 419.66 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine is sourced from PubChem (CID 166020077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).