N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine

C10H19N5OS — CID 62576626

IUPACN-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCSc1nnnn1C1CC1
InChIInChI=1S/C10H19N5OS/c1-8(7-16-2)11-5-6-17-10-12-13-14-15(10)9-3-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyTYOVKOBQOFUQNA-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.72
Rot. Bonds8

About N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine

N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine (PubChem CID 62576626) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine
PubChem CID62576626
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC NameN-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCSc1nnnn1C1CC1
InChIInChI=1S/C10H19N5OS/c1-8(7-16-2)11-5-6-17-10-12-13-14-15(10)9-3-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyTYOVKOBQOFUQNA-UHFFFAOYSA-N
XLogP0.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine (CID 62576626) is N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine is COCC(C)NCCSc1nnnn1C1CC1.
What is the InChIKey of N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine?
The InChIKey is TYOVKOBQOFUQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-8(7-16-2)11-5-6-17-10-12-13-14-15(10)9-3-4-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine?
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine has a molecular weight of 257.36 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 62576626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).