N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide

C16H25N3O3S2 — CID 164630267

IUPACN-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C16H25N3O3S2/c1-11(18-24(2,21)22)16(20)19-9-7-12(8-10-19)15-17-13-5-3-4-6-14(13)23-15/h11-12,18H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyDDHZHCJQFZABDI-NSHDSACASA-N
MW371.53 g/mol
LogP1.67
Rot. Bonds4

About N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide

N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide (PubChem CID 164630267) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide
PubChem CID164630267
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC NameN-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C16H25N3O3S2/c1-11(18-24(2,21)22)16(20)19-9-7-12(8-10-19)15-17-13-5-3-4-6-14(13)23-15/h11-12,18H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyDDHZHCJQFZABDI-NSHDSACASA-N
XLogP1.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide (CID 164630267) is N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide is C[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide?
The InChIKey is DDHZHCJQFZABDI-NSHDSACASA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-11(18-24(2,21)22)16(20)19-9-7-12(8-10-19)15-17-13-5-3-4-6-14(13)23-15/h11-12,18H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide?
N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide has a molecular weight of 371.53 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 164630267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).