5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine

C16H31N3O3S2 — CID 156650260

IUPAC5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine
SMILESCS(=O)(=O)C1CCC(C2CNC(N)C(OCC3CCCS3)N2)CC1
InChIInChI=1S/C16H31N3O3S2/c1-24(20,21)13-6-4-11(5-7-13)14-9-18-15(17)16(19-14)22-10-12-3-2-8-23-12/h11-16,18-19H,2-10,17H2,1H3
InChIKeyQHMOLZGNTABASI-UHFFFAOYSA-N
MW377.58 g/mol
LogP0.67
Rot. Bonds5

About 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine

5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine (PubChem CID 156650260) has the molecular formula C16H31N3O3S2 and a molecular weight of 377.58 g/mol. Its IUPAC name is 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine
PubChem CID156650260
Molecular FormulaC16H31N3O3S2
Molecular Weight377.58 g/mol
Exact Mass377.18
IUPAC Name5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine
SMILESCS(=O)(=O)C1CCC(C2CNC(N)C(OCC3CCCS3)N2)CC1
InChIInChI=1S/C16H31N3O3S2/c1-24(20,21)13-6-4-11(5-7-13)14-9-18-15(17)16(19-14)22-10-12-3-2-8-23-12/h11-16,18-19H,2-10,17H2,1H3
InChIKeyQHMOLZGNTABASI-UHFFFAOYSA-N
XLogP0.67
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethyl)-1,2,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridine
CID 166020190
6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine
CID 166020077
6-(4-methylsulfonylcyclohexyl)-1-(thiolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
CID 166020060
2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine
CID 166020009
6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine
CID 156650484
2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine
CID 166020167
3-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)cyclohexan-1-amine
CID 166020085
2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine
CID 156650313
5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole
CID 166020144
2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine
CID 156650474
5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(1,2-thiazolidin-5-ylmethyl)piperazin-2-amine
CID 156650524
2-[6-(4-methylsulfonylcyclohexyl)piperazin-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 166020088

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine?
The IUPAC name of 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine (CID 156650260) is 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine is CS(=O)(=O)C1CCC(C2CNC(N)C(OCC3CCCS3)N2)CC1.
What is the InChIKey of 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine?
The InChIKey is QHMOLZGNTABASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S2/c1-24(20,21)13-6-4-11(5-7-13)14-9-18-15(17)16(19-14)22-10-12-3-2-8-23-12/h11-16,18-19H,2-10,17H2,1H3.
What are the key properties of 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine?
5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine has a molecular weight of 377.58 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine is sourced from PubChem (CID 156650260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).