4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine

C17H25N5O2S2 — CID 1431626

IUPAC4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine
SMILESCc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCSCC2)cc1
InChIInChI=1S/C17H25N5O2S2/c1-13(2)16(21-8-10-25-11-9-21)17-18-19-20-22(17)12-26(23,24)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3/t16-/m1/s1
InChIKeyFMCHUTLRPACALU-MRXNPFEDSA-N
MW395.55 g/mol
LogP2.16
Rot. Bonds6

About 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine

4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine (PubChem CID 1431626) has the molecular formula C17H25N5O2S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine.

Molecular Properties

Compound Name4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine
PubChem CID1431626
Molecular FormulaC17H25N5O2S2
Molecular Weight395.55 g/mol
Exact Mass395.14
IUPAC Name4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine
SMILESCc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCSCC2)cc1
InChIInChI=1S/C17H25N5O2S2/c1-13(2)16(21-8-10-25-11-9-21)17-18-19-20-22(17)12-26(23,24)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3/t16-/m1/s1
InChIKeyFMCHUTLRPACALU-MRXNPFEDSA-N
XLogP2.16
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine?
The IUPAC name of 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine (CID 1431626) is 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine.
What is the SMILES notation for 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine?
The canonical SMILES for 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine is Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCSCC2)cc1.
What is the InChIKey of 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine?
The InChIKey is FMCHUTLRPACALU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N5O2S2/c1-13(2)16(21-8-10-25-11-9-21)17-18-19-20-22(17)12-26(23,24)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine?
4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine has a molecular weight of 395.55 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine is sourced from PubChem (CID 1431626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).