1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine

C17H26N2OS — CID 143303513

IUPAC1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine
SMILESCC(C)Oc1ccc(SN2CCN(C3(C)CC3)CC2)cc1
InChIInChI=1S/C17H26N2OS/c1-14(2)20-15-4-6-16(7-5-15)21-19-12-10-18(11-13-19)17(3)8-9-17/h4-7,14H,8-13H2,1-3H3
InChIKeyQQFZAINBMXBPOA-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.65
Rot. Bonds5

About 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine

1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine (PubChem CID 143303513) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine
PubChem CID143303513
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine
SMILESCC(C)Oc1ccc(SN2CCN(C3(C)CC3)CC2)cc1
InChIInChI=1S/C17H26N2OS/c1-14(2)20-15-4-6-16(7-5-15)21-19-12-10-18(11-13-19)17(3)8-9-17/h4-7,14H,8-13H2,1-3H3
InChIKeyQQFZAINBMXBPOA-UHFFFAOYSA-N
XLogP3.65
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine?
The IUPAC name of 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine (CID 143303513) is 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine?
The canonical SMILES for 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine is CC(C)Oc1ccc(SN2CCN(C3(C)CC3)CC2)cc1.
What is the InChIKey of 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine?
The InChIKey is QQFZAINBMXBPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-14(2)20-15-4-6-16(7-5-15)21-19-12-10-18(11-13-19)17(3)8-9-17/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine?
1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine has a molecular weight of 306.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine is sourced from PubChem (CID 143303513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).