N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide

C12H18N2O4S2 — CID 125423662

IUPACN-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)CC1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C12H18N2O4S2/c1-9(15)5-13-20(17,18)8-10-6-14(7-10)12(16)11-3-2-4-19-11/h2-4,9-10,13,15H,5-8H2,1H3/t9-/m1/s1
InChIKeyOEYNWXUZZAYVHP-SECBINFHSA-N
MW318.42 g/mol
LogP0.12
Rot. Bonds6

About N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide

N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide (PubChem CID 125423662) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide
PubChem CID125423662
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)CC1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C12H18N2O4S2/c1-9(15)5-13-20(17,18)8-10-6-14(7-10)12(16)11-3-2-4-19-11/h2-4,9-10,13,15H,5-8H2,1H3/t9-/m1/s1
InChIKeyOEYNWXUZZAYVHP-SECBINFHSA-N
XLogP0.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone
CID 125423656
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
[(3aS,6aR)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97457824
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801038
[3-(2-bromoethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801408
N-[[(1R,3aR,7aR)-5-(thiophene-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 98777316
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide (CID 125423662) is N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide is C[C@@H](O)CNS(=O)(=O)CC1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide?
The InChIKey is OEYNWXUZZAYVHP-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-9(15)5-13-20(17,18)8-10-6-14(7-10)12(16)11-3-2-4-19-11/h2-4,9-10,13,15H,5-8H2,1H3/t9-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide?
N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125423662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).