N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide

C10H18N2O2S2 — CID 124595122

IUPACN-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](CC)c1nccs1
InChIInChI=1S/C10H18N2O2S2/c1-3-5-8-16(13,14)12-9(4-2)10-11-6-7-15-10/h6-7,9,12H,3-5,8H2,1-2H3/t9-/m0/s1
InChIKeyJORLMIHJJUKITO-VIFPVBQESA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds7

About N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide

N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide (PubChem CID 124595122) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
PubChem CID124595122
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC NameN-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](CC)c1nccs1
InChIInChI=1S/C10H18N2O2S2/c1-3-5-8-16(13,14)12-9(4-2)10-11-6-7-15-10/h6-7,9,12H,3-5,8H2,1-2H3/t9-/m0/s1
InChIKeyJORLMIHJJUKITO-VIFPVBQESA-N
XLogP2.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide (CID 124595122) is N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H](CC)c1nccs1.
What is the InChIKey of N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide?
The InChIKey is JORLMIHJJUKITO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-3-5-8-16(13,14)12-9(4-2)10-11-6-7-15-10/h6-7,9,12H,3-5,8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide?
N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide has a molecular weight of 262.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide is sourced from PubChem (CID 124595122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).