N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine

C10H16N2O2S2 — CID 115732724

IUPACN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESCS(=O)(=O)CC1(CNCc2cncs2)CC1
InChIInChI=1S/C10H16N2O2S2/c1-16(13,14)7-10(2-3-10)6-11-4-9-5-12-8-15-9/h5,8,11H,2-4,6-7H2,1H3
InChIKeyROGUKZRGPSVRHV-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.06
Rot. Bonds6

About N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine

N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine (PubChem CID 115732724) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine
PubChem CID115732724
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESCS(=O)(=O)CC1(CNCc2cncs2)CC1
InChIInChI=1S/C10H16N2O2S2/c1-16(13,14)7-10(2-3-10)6-11-4-9-5-12-8-15-9/h5,8,11H,2-4,6-7H2,1H3
InChIKeyROGUKZRGPSVRHV-UHFFFAOYSA-N
XLogP1.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815
2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733110
N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
CID 104874274
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
CID 115732524
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 62758172
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 107035938
3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde
CID 130672635

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine (CID 115732724) is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine is CS(=O)(=O)CC1(CNCc2cncs2)CC1.
What is the InChIKey of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine?
The InChIKey is ROGUKZRGPSVRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-16(13,14)7-10(2-3-10)6-11-4-9-5-12-8-15-9/h5,8,11H,2-4,6-7H2,1H3.
What are the key properties of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine?
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 115732724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).