N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine

C15H21N5S — CID 63805114

IUPACN-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(Sc2nnnn2C2CC2)ccc1CNC(C)C
InChIInChI=1S/C15H21N5S/c1-10(2)16-9-12-4-7-14(8-11(12)3)21-15-17-18-19-20(15)13-5-6-13/h4,7-8,10,13,16H,5-6,9H2,1-3H3
InChIKeyMZVWUORKNXXFKU-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.97
Rot. Bonds6

About N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine

N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine (PubChem CID 63805114) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine
PubChem CID63805114
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(Sc2nnnn2C2CC2)ccc1CNC(C)C
InChIInChI=1S/C15H21N5S/c1-10(2)16-9-12-4-7-14(8-11(12)3)21-15-17-18-19-20(15)13-5-6-13/h4,7-8,10,13,16H,5-6,9H2,1-3H3
InChIKeyMZVWUORKNXXFKU-UHFFFAOYSA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-1-amine
CID 63805118
[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
CID 63814749
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylbenzonitrile
CID 81282782
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83109972
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-2-amine
CID 63818433
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386414
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
CID 80651706
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde
CID 80639438
2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzoic acid
CID 55153568
N-[[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63804436

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine (CID 63805114) is N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine is Cc1cc(Sc2nnnn2C2CC2)ccc1CNC(C)C.
What is the InChIKey of N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine?
The InChIKey is MZVWUORKNXXFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10(2)16-9-12-4-7-14(8-11(12)3)21-15-17-18-19-20(15)13-5-6-13/h4,7-8,10,13,16H,5-6,9H2,1-3H3.
What are the key properties of N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine?
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine has a molecular weight of 303.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 63805114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).