N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine

C7H15N5S — CID 64619826

IUPACN-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
SMILESCCNC(C)CSc1nnnn1C
InChIInChI=1S/C7H15N5S/c1-4-8-6(2)5-13-7-9-10-11-12(7)3/h6,8H,4-5H2,1-3H3
InChIKeyXMEXYZSGKUNRPQ-UHFFFAOYSA-N
MW201.30 g/mol
LogP0.30
Rot. Bonds5

About N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine

N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine (PubChem CID 64619826) has the molecular formula C7H15N5S and a molecular weight of 201.30 g/mol. Its IUPAC name is N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
PubChem CID64619826
Molecular FormulaC7H15N5S
Molecular Weight201.30 g/mol
Exact Mass201.10
IUPAC NameN-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
SMILESCCNC(C)CSc1nnnn1C
InChIInChI=1S/C7H15N5S/c1-4-8-6(2)5-13-7-9-10-11-12(7)3/h6,8H,4-5H2,1-3H3
InChIKeyXMEXYZSGKUNRPQ-UHFFFAOYSA-N
XLogP0.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64621193
1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 104755169
N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64619824
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538122
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755175
3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64620404
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619818
4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol
CID 64898439
N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619439
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine
CID 64634995
3-(1-methyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64620207

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine?
The IUPAC name of N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine (CID 64619826) is N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine is CCNC(C)CSc1nnnn1C.
What is the InChIKey of N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine?
The InChIKey is XMEXYZSGKUNRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S/c1-4-8-6(2)5-13-7-9-10-11-12(7)3/h6,8H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine?
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine has a molecular weight of 201.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 64619826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).