(6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C17H27N3O2S — CID 97495082

IUPAC(6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCOC[C@@]3(C2)CN(CC2CC2)CCO3)cs1
InChIInChI=1S/C17H27N3O2S/c1-14-18-16(10-23-14)9-20-4-6-21-13-17(12-20)11-19(5-7-22-17)8-15-2-3-15/h10,15H,2-9,11-13H2,1H3/t17-/m0/s1
InChIKeyQHTNQAWZAAQGCB-KRWDZBQOSA-N
MW337.49 g/mol
LogP1.76
Rot. Bonds4

About (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 97495082) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID97495082
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCOC[C@@]3(C2)CN(CC2CC2)CCO3)cs1
InChIInChI=1S/C17H27N3O2S/c1-14-18-16(10-23-14)9-20-4-6-21-13-17(12-20)11-19(5-7-22-17)8-15-2-3-15/h10,15H,2-9,11-13H2,1H3/t17-/m0/s1
InChIKeyQHTNQAWZAAQGCB-KRWDZBQOSA-N
XLogP1.76
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 97495082) is (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Cc1nc(CN2CCOC[C@@]3(C2)CN(CC2CC2)CCO3)cs1.
What is the InChIKey of (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is QHTNQAWZAAQGCB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-14-18-16(10-23-14)9-20-4-6-21-13-17(12-20)11-19(5-7-22-17)8-15-2-3-15/h10,15H,2-9,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 337.49 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97495082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).