(2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide

C11H21N5O3S — CID 20681216

IUPAC(2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide
SMILESCNC(=O)[C@@H](N)CC(CCN)S(=O)(=O)c1nccn1C
InChIInChI=1S/C11H21N5O3S/c1-14-10(17)9(13)7-8(3-4-12)20(18,19)11-15-5-6-16(11)2/h5-6,8-9H,3-4,7,12-13H2,1-2H3,(H,14,17)/t8?,9-/m0/s1
InChIKeyUSTWEOALVLRHCJ-GKAPJAKFSA-N
MW303.39 g/mol
LogP-1.63
Rot. Bonds7

About (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide

(2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide (PubChem CID 20681216) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide
PubChem CID20681216
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name(2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide
SMILESCNC(=O)[C@@H](N)CC(CCN)S(=O)(=O)c1nccn1C
InChIInChI=1S/C11H21N5O3S/c1-14-10(17)9(13)7-8(3-4-12)20(18,19)11-15-5-6-16(11)2/h5-6,8-9H,3-4,7,12-13H2,1-2H3,(H,14,17)/t8?,9-/m0/s1
InChIKeyUSTWEOALVLRHCJ-GKAPJAKFSA-N
XLogP-1.63
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide?
The IUPAC name of (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide (CID 20681216) is (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide is CNC(=O)[C@@H](N)CC(CCN)S(=O)(=O)c1nccn1C.
What is the InChIKey of (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide?
The InChIKey is USTWEOALVLRHCJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-14-10(17)9(13)7-8(3-4-12)20(18,19)11-15-5-6-16(11)2/h5-6,8-9H,3-4,7,12-13H2,1-2H3,(H,14,17)/t8?,9-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide?
(2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide has a molecular weight of 303.39 g/mol, XLogP of -1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide is sourced from PubChem (CID 20681216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).