N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine

C10H21N5S2 — CID 113474390

IUPACN-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
SMILESCSCCCSc1nnnn1CCNC(C)C
InChIInChI=1S/C10H21N5S2/c1-9(2)11-5-6-15-10(12-13-14-15)17-8-4-7-16-3/h9,11H,4-8H2,1-3H3
InChIKeyCALPTGDCMBTULU-UHFFFAOYSA-N
MW275.45 g/mol
LogP1.52
Rot. Bonds9

About N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine

N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine (PubChem CID 113474390) has the molecular formula C10H21N5S2 and a molecular weight of 275.45 g/mol. Its IUPAC name is N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
PubChem CID113474390
Molecular FormulaC10H21N5S2
Molecular Weight275.45 g/mol
Exact Mass275.12
IUPAC NameN-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
SMILESCSCCCSc1nnnn1CCNC(C)C
InChIInChI=1S/C10H21N5S2/c1-9(2)11-5-6-15-10(12-13-14-15)17-8-4-7-16-3/h9,11H,4-8H2,1-3H3
InChIKeyCALPTGDCMBTULU-UHFFFAOYSA-N
XLogP1.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114268875
N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 112644510
N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
CID 114526814
ethyl 2-[1-[2-(propan-2-ylamino)ethyl]tetrazol-5-yl]sulfanylpentanoate
CID 83052088
6-[1-[2-(tert-butylamino)ethyl]tetrazol-5-yl]sulfanylhexan-1-ol
CID 107707232
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386414
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230
N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106458184
N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106731830
N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
CID 113382999
N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine
CID 121367696

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine (CID 113474390) is N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine is CSCCCSc1nnnn1CCNC(C)C.
What is the InChIKey of N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
The InChIKey is CALPTGDCMBTULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5S2/c1-9(2)11-5-6-15-10(12-13-14-15)17-8-4-7-16-3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine has a molecular weight of 275.45 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 113474390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).