3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine

C9H19N5S — CID 64620599

IUPAC3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine
SMILESCCCC(N)C(CC)Sc1nnnn1C
InChIInChI=1S/C9H19N5S/c1-4-6-7(10)8(5-2)15-9-11-12-13-14(9)3/h7-8H,4-6,10H2,1-3H3
InChIKeyWIAYUQNNHFSTQR-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.21
Rot. Bonds6

About 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine

3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine (PubChem CID 64620599) has the molecular formula C9H19N5S and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine
PubChem CID64620599
Molecular FormulaC9H19N5S
Molecular Weight229.35 g/mol
Exact Mass229.14
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine
SMILESCCCC(N)C(CC)Sc1nnnn1C
InChIInChI=1S/C9H19N5S/c1-4-6-7(10)8(5-2)15-9-11-12-13-14(9)3/h7-8H,4-6,10H2,1-3H3
InChIKeyWIAYUQNNHFSTQR-UHFFFAOYSA-N
XLogP1.21
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]heptan-4-amine
CID 64626434
3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol
CID 64899830
3-(1-methyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64620207
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 115384185
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine
CID 64633095
3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide
CID 43369005
3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65041002
3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64620404
2-(1-methyltetrazol-5-yl)sulfanyloctanoic acid
CID 139893663
5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610056
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine
CID 59036874

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine (CID 64620599) is 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine is CCCC(N)C(CC)Sc1nnnn1C.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine?
The InChIKey is WIAYUQNNHFSTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5S/c1-4-6-7(10)8(5-2)15-9-11-12-13-14(9)3/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine?
3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine has a molecular weight of 229.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine is sourced from PubChem (CID 64620599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).