(3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide

C7H13N3OS — CID 169318375

IUPAC(3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide
SMILESNC(=O)[C@@H]1CSC2(CCNC2)N1
InChIInChI=1S/C7H13N3OS/c8-6(11)5-3-12-7(10-5)1-2-9-4-7/h5,9-10H,1-4H2,(H2,8,11)/t5-,7?/m0/s1
InChIKeySXSAEICBCGBCNH-DSEUIKHZSA-N
MW187.27 g/mol
LogP-1.13
Rot. Bonds1

About (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide

(3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide (PubChem CID 169318375) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide
PubChem CID169318375
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name(3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide
SMILESNC(=O)[C@@H]1CSC2(CCNC2)N1
InChIInChI=1S/C7H13N3OS/c8-6(11)5-3-12-7(10-5)1-2-9-4-7/h5,9-10H,1-4H2,(H2,8,11)/t5-,7?/m0/s1
InChIKeySXSAEICBCGBCNH-DSEUIKHZSA-N
XLogP-1.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Thiazolidinecarboxamide
CID 9964101
Thiazolidin-3-yl(thiazolidin-4-yl)methanone
CID 6481656
4-(Pyrrolidine-1-carbonyl)-1,3-thiazolidine hydrochloride
CID 47002809
(4R)-1,3-Thiazolidine-4-carboxamide
CID 21340288
N-(2-aminoethyl)-1,3-thiazolidine-4-carboxamide
CID 61275102
(S)-thiazolidine-4-carboxylic acid amide
CID 15600152
4-Thiazolidinecarboxamide, 2-methyl-
CID 18505122
1,3-Thiazolidin-3-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 20027288
1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 54217794
N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 62268438
(4R)-N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 67221680
2,2-Dimethyl-1,3-thiazolidine-4-carboxamide
CID 69988612

Frequently Asked Questions

What is the IUPAC name of (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide?
The IUPAC name of (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide (CID 169318375) is (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide.
What is the SMILES notation for (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide?
The canonical SMILES for (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide is NC(=O)[C@@H]1CSC2(CCNC2)N1.
What is the InChIKey of (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide?
The InChIKey is SXSAEICBCGBCNH-DSEUIKHZSA-N. The full InChI is InChI=1S/C7H13N3OS/c8-6(11)5-3-12-7(10-5)1-2-9-4-7/h5,9-10H,1-4H2,(H2,8,11)/t5-,7?/m0/s1.
What are the key properties of (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide?
(3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide has a molecular weight of 187.27 g/mol, XLogP of -1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide is sourced from PubChem (CID 169318375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).