methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate

C10H17N5O2S — CID 79633730

IUPACmethyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(Sc2nnnn2C)C1
InChIInChI=1S/C10H17N5O2S/c1-15-9(12-13-14-15)18-7-4-3-5-10(11,6-7)8(16)17-2/h7H,3-6,11H2,1-2H3
InChIKeyIDZLDDCBOPELHJ-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.12
Rot. Bonds3

About methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate

methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate (PubChem CID 79633730) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
PubChem CID79633730
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Namemethyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(Sc2nnnn2C)C1
InChIInChI=1S/C10H17N5O2S/c1-15-9(12-13-14-15)18-7-4-3-5-10(11,6-7)8(16)17-2/h7H,3-6,11H2,1-2H3
InChIKeyIDZLDDCBOPELHJ-UHFFFAOYSA-N
XLogP0.12
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-(1-methyltetrazol-5-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79654534
ethyl 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79635451
methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate
CID 79653447
ethyl 1-(ethylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79635597
1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide
CID 79634807
methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate
CID 79635853
3-(1-methyltetrazol-5-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79634793
1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile
CID 79637008
3-(1-methyltetrazol-5-yl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636012
methyl 1-amino-3-(2,5-dichlorophenyl)sulfanylcyclohexane-1-carboxylate
CID 79634625
methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate
CID 115383534
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
CID 79634834

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate (CID 79633730) is methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate is COC(=O)C1(N)CCCC(Sc2nnnn2C)C1.
What is the InChIKey of methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate?
The InChIKey is IDZLDDCBOPELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-15-9(12-13-14-15)18-7-4-3-5-10(11,6-7)8(16)17-2/h7H,3-6,11H2,1-2H3.
What are the key properties of methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate?
methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate has a molecular weight of 271.35 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate is sourced from PubChem (CID 79633730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).