N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine

C11H17N3S — CID 99595371

IUPACN-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine
SMILESC[C@@H](C1CC1)N(Cc1csnn1)C1CC1
InChIInChI=1S/C11H17N3S/c1-8(9-2-3-9)14(11-4-5-11)6-10-7-15-13-12-10/h7-9,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyWPKMUMAHYZRRHG-QMMMGPOBSA-N
MW223.34 g/mol
LogP2.30
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine

N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine (PubChem CID 99595371) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine
PubChem CID99595371
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine
SMILESC[C@@H](C1CC1)N(Cc1csnn1)C1CC1
InChIInChI=1S/C11H17N3S/c1-8(9-2-3-9)14(11-4-5-11)6-10-7-15-13-12-10/h7-9,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyWPKMUMAHYZRRHG-QMMMGPOBSA-N
XLogP2.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole
CID 75506914
3-[Cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile
CID 136519628
4-[(4-Methylpiperidin-1-yl)methyl]thiadiazole
CID 58990381
1,1-dicyclopropyl-N-(thiadiazol-4-ylmethyl)methanamine
CID 43664010
2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine
CID 43664040
2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine
CID 43664083
3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine
CID 43664084
4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 43664137
1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43664146
1-N,1-N,4-trimethyl-2-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine
CID 43751806
3-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 61463272
2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine
CID 61468848

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine (CID 99595371) is N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine is C[C@@H](C1CC1)N(Cc1csnn1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine?
The InChIKey is WPKMUMAHYZRRHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8(9-2-3-9)14(11-4-5-11)6-10-7-15-13-12-10/h7-9,11H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine?
N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine has a molecular weight of 223.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-N-(thiadiazol-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 99595371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).