1-(dimethylamino)-4-(sulfinoamino)butane

C6H16N2O2S — CID 90942652

IUPAC1-(dimethylamino)-4-(sulfinoamino)butane
SMILESCN(C)CCCCNS(=O)O
InChIInChI=1S/C6H16N2O2S/c1-8(2)6-4-3-5-7-11(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyRMPVMDSKNFPXJY-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.05
Rot. Bonds6

About 1-(dimethylamino)-4-(sulfinoamino)butane

1-(dimethylamino)-4-(sulfinoamino)butane (PubChem CID 90942652) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-(dimethylamino)-4-(sulfinoamino)butane.

Molecular Properties

Compound Name1-(dimethylamino)-4-(sulfinoamino)butane
PubChem CID90942652
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name1-(dimethylamino)-4-(sulfinoamino)butane
SMILESCN(C)CCCCNS(=O)O
InChIInChI=1S/C6H16N2O2S/c1-8(2)6-4-3-5-7-11(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyRMPVMDSKNFPXJY-UHFFFAOYSA-N
XLogP0.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-5-(sulfinoamino)pentane
CID 91318979
1-(sulfinoamino)tetradecane
CID 57045520
5-(dimethylamino)pentylcarbamodithioic acid
CID 10398092
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide
CID 62836694
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate
CID 79348724

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-(sulfinoamino)butane?
The IUPAC name of 1-(dimethylamino)-4-(sulfinoamino)butane (CID 90942652) is 1-(dimethylamino)-4-(sulfinoamino)butane.
What is the SMILES notation for 1-(dimethylamino)-4-(sulfinoamino)butane?
The canonical SMILES for 1-(dimethylamino)-4-(sulfinoamino)butane is CN(C)CCCCNS(=O)O.
What is the InChIKey of 1-(dimethylamino)-4-(sulfinoamino)butane?
The InChIKey is RMPVMDSKNFPXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-8(2)6-4-3-5-7-11(9)10/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 1-(dimethylamino)-4-(sulfinoamino)butane?
1-(dimethylamino)-4-(sulfinoamino)butane has a molecular weight of 180.27 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-(sulfinoamino)butane is sourced from PubChem (CID 90942652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).