2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine

C7H14N4OS — CID 175730846

IUPAC2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine
SMILESNC(N)=NCCC[C@H](N)C(=O)C=S
InChIInChI=1S/C7H14N4OS/c8-5(6(12)4-13)2-1-3-11-7(9)10/h4-5H,1-3,8H2,(H4,9,10,11)/t5-/m0/s1
InChIKeyNPEFJBYVFHPQGC-YFKPBYRVSA-N
MW202.28 g/mol
LogP-1.06
Rot. Bonds6

About 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine

2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine (PubChem CID 175730846) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine.

Molecular Properties

Compound Name2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine
PubChem CID175730846
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine
SMILESNC(N)=NCCC[C@H](N)C(=O)C=S
InChIInChI=1S/C7H14N4OS/c8-5(6(12)4-13)2-1-3-11-7(9)10/h4-5H,1-3,8H2,(H4,9,10,11)/t5-/m0/s1
InChIKeyNPEFJBYVFHPQGC-YFKPBYRVSA-N
XLogP-1.06
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl fluoride
CID 54568309
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
CID 87871094
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine?
The IUPAC name of 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine (CID 175730846) is 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine.
What is the SMILES notation for 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine?
The canonical SMILES for 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine is NC(N)=NCCC[C@H](N)C(=O)C=S.
What is the InChIKey of 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine?
The InChIKey is NPEFJBYVFHPQGC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N4OS/c8-5(6(12)4-13)2-1-3-11-7(9)10/h4-5H,1-3,8H2,(H4,9,10,11)/t5-/m0/s1.
What are the key properties of 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine?
2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine has a molecular weight of 202.28 g/mol, XLogP of -1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine is sourced from PubChem (CID 175730846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).