1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine

C11H19N7S — CID 131901116

IUPAC1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine
SMILESCc1nccn1CC(C)NCCSc1nnnn1C
InChIInChI=1S/C11H19N7S/c1-9(8-18-6-4-13-10(18)2)12-5-7-19-11-14-15-16-17(11)3/h4,6,9,12H,5,7-8H2,1-3H3
InChIKeyHXYQHNGJOLGTSO-UHFFFAOYSA-N
MW281.39 g/mol
LogP0.49
Rot. Bonds7

About 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine

1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine (PubChem CID 131901116) has the molecular formula C11H19N7S and a molecular weight of 281.39 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine
PubChem CID131901116
Molecular FormulaC11H19N7S
Molecular Weight281.39 g/mol
Exact Mass281.14
IUPAC Name1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine
SMILESCc1nccn1CC(C)NCCSc1nnnn1C
InChIInChI=1S/C11H19N7S/c1-9(8-18-6-4-13-10(18)2)12-5-7-19-11-14-15-16-17(11)3/h4,6,9,12H,5,7-8H2,1-3H3
InChIKeyHXYQHNGJOLGTSO-UHFFFAOYSA-N
XLogP0.49
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64619824
2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
4-methyl-N-[3-[1-(2-methylimidazol-1-yl)propan-2-ylamino]propyl]benzenesulfonamide
CID 131890337
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62578341
N-[(4-chlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine chloride
CID 53346680
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
[3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol
CID 131891967
2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62577280
[[4-(1-methyltetrazol-5-yl)sulfanylbutylamino]-phosphonomethyl]phosphonic acid
CID 139621159

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine?
The IUPAC name of 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine (CID 131901116) is 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine?
The canonical SMILES for 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine is Cc1nccn1CC(C)NCCSc1nnnn1C.
What is the InChIKey of 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine?
The InChIKey is HXYQHNGJOLGTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7S/c1-9(8-18-6-4-13-10(18)2)12-5-7-19-11-14-15-16-17(11)3/h4,6,9,12H,5,7-8H2,1-3H3.
What are the key properties of 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine?
1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine has a molecular weight of 281.39 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-2-amine is sourced from PubChem (CID 131901116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).