(3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine

C13H22N4S — CID 72921116

IUPAC(3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1nnsc1CN1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C13H22N4S/c1-8(2)13-12(18-16-15-13)7-17-5-10(9-3-4-9)11(14)6-17/h8-11H,3-7,14H2,1-2H3/t10-,11+/m1/s1
InChIKeyCHRUTBSAPPYRBC-MNOVXSKESA-N
MW266.41 g/mol
LogP1.83
Rot. Bonds4

About (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 72921116) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID72921116
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name(3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1nnsc1CN1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C13H22N4S/c1-8(2)13-12(18-16-15-13)7-17-5-10(9-3-4-9)11(14)6-17/h8-11H,3-7,14H2,1-2H3/t10-,11+/m1/s1
InChIKeyCHRUTBSAPPYRBC-MNOVXSKESA-N
XLogP1.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine (CID 72921116) is (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine is CC(C)c1nnsc1CN1C[C@H](C2CC2)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CHRUTBSAPPYRBC-MNOVXSKESA-N. The full InChI is InChI=1S/C13H22N4S/c1-8(2)13-12(18-16-15-13)7-17-5-10(9-3-4-9)11(14)6-17/h8-11H,3-7,14H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 266.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 72921116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).